分散黄 3

分散黄 3 基本信息
CAS号 2832-40-8 分子式 C15H15N3O2
分子量 269.29900 精确质量  269.11600
PSA  74.05000 LogP  4.14740

基本信息 展开↓

CAS号:
2832-40-8
3D弹球模型:
立即前往扯扯看
分子式:
C15H15N3O2
分子量:
269.29900
中文名称:
分散黄 3
英文名称:
4-(2-hydroxy-5-methylphenylazo)acetanilide
中文别名:
分散黄 3;
分散黄G
英文别名:
4-(2-hydroxy-5-methylphenylazo)acetanilide;
4-Acetylamino-2'-hydroxy-5-methyl-azobenzol;
3-methyl-6-hydroxy-4'-acetylaminoazobenzene;
2-hydroxy-5-methyl-4'-acetamidoazobenzene;
Disperse Yellow 3;
artisilyellowg;
Zlut di;
4-(2-Hydroxy-5-methylphenylazo)acetanilide (N-[4-(2-Hydroxy-5-methylphenylazo)phenyl]acetamide;
estoneyellowgn;
yellowz;
C. I. Disperse yellow 3;
fenacetyellowg
精确分子量/精确质量:
269.11600
极性分子表面积/PSA:
74.05000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00002377
EINECS:
220-600-8
PubChem:
24852911
BRN:
1915225
InChI:
InChI=1/C15H15N3O2/c1-10-3-8-15(20)14(9-10)18-17-13-6-4-12(5-7-13)16-11(2)19/h3-9,20H,1-2H3,(H,16,19)/b18-17+

生产制备方法及用途展开↓

制备方法


用于涤纶及其混纺织物的染色

用途简介


用途


用于涤纶及其混纺织物的染色

物化性质展开↓

外观与性状:
黄色粉末
密度:
1.2 g/cm3
熔点:
268-270 °C(lit.)
沸点:
533.9ºC at 760 mmHg
闪点:
276.702°C
折射率:
1.604
蒸汽压:
0mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥
其它信息:

1.       性状:棕黄色粉末

2.       密度(g/mL at 25 °C:未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):268-270

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,0.03mmHg):未确定

7.       折射率(n20/D):未确定

8.       闪点(ºC):未确定

9.       比旋光度(º):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(hPa,21.1ºC):未确定

12.    饱和蒸气压(kPa,114.4 ºC):未确定

13.    燃烧热(KJ/mol):未确定

14.    临界温度(ºC):未确定

15.    临界压力(MPa):未确定

16.    油水(辛醇/水)分配系数的对数值:未确定

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:未确定

安全信息展开↓

海关代码:
2927000090
WGK_Germany:
2
德国有关水污染物质的分类清单
危险类别码:
R40
安全说明:
S22-S36/37-S46
RTECS号:
AC3662000
安全标志:
S22:不要吸入粉尘。
S46:万一发生不慎吞咽,立刻寻求医生的建议(展示产品容器或者标签)。
:
危险标志:
Xn: Harmful;

合成路线查看所有的合成路线

  • 106-44-5

    对甲酚

  • +

  • 122-80-5

    4′-氨基乙酰苯胺

  • 2832-40-8

    分散黄 3

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AC3662000
CHEMICAL NAME :
Acetamide, N-(4-((2-hydroxy-5-methylphenyl)azo)phenyl)-
CAS REGISTRY NUMBER :
2832-40-8
LAST UPDATED :
199710
DATA ITEMS CITED :
26
MOLECULAR FORMULA :
C15-H15-N3-O2
MOLECULAR WEIGHT :
269.33
WISWESSER LINE NOTATION :
QR D BNUNR DMV1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>14 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8190 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Cardiac - other changes Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>14 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8080 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Cardiac - other changes Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
35 gm/kg/14D-C
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
168 gm/kg/14D-C
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
180 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Blood - leukemia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
433 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
216 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Lungs, Thorax, or Respiration - bronchiogenic carcinoma
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
216 gm/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Blood - leukemia

MUTATION DATA

TEST SYSTEM :
Amphibian - frog
DOSE/DURATION :
28 gm/L
REFERENCE :
CYTBAI Cytobios. (Faculty Press, 88 Regent St., Cambridge, UK) V.1- 1969- Volume(issue)/page/year: 25,175,1979 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 48,149,1990 IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 8,97,1975 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 8,97,1975 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 48,149,1990 TOXICOLOGY REVIEW JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 15,311,1996 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M2104 No. of Facilities: 164 (estimated) No. of Industries: 8 No. of Occupations: 17 No. of Employees: 3929 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M2104 No. of Facilities: 516 (estimated) No. of Industries: 9 No. of Occupations: 16 No. of Employees: 20479 (estimated) No. of Female Employees: 1215 (estimated)

MSDS 展开↓


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : Disperse Yellow 3    
    Index-No.        : 611-055-00-0    
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
    CAS-No.        : 2832-40-8    
  

SECTION 2: Hazards identification
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008
    Carcinogenicity (Category 2), H351
    Skin sensitisation (Category 1), H317
    For the full text of the H-Statements mentioned in this Section, see Section 16.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    R40
    R43
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    May cause an allergic skin reaction.
    Suspected of causing cancer.
    Precautionary statement(s)
    Wear protective gloves.
    Supplemental Hazard        none    
    Statements
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Substances
    Chemical characterization : Natural product
    Synonyms        : N-[4-(2-Hydroxy-5-methylphenylazo)phenyl]acetamide    
    4-(2-Hydroxy-5-methylphenylazo)acetanilide
    Formula        : C15H15N3O2    
    Molecular Weight        : 269,3 g/mol    
    CAS-No.        : 2832-40-8    
    EC-No.        : 220-600-8    
    Index-No.        : 611-055-00-0    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  4-(2-Hydroxy-5-methylphenylazo)acetanilide
    CAS-No.        2832-40-8        Skin Sens. 1; Carc. 2; H317,        <= 100 %    
    EC-No.        220-600-8    
    Index-No.        611-055-00-0    
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  4-(2-Hydroxy-5-methylphenylazo)acetanilide
    CAS-No.        2832-40-8        Xn, Carc.Cat.3, R40 - R43        <= 100 %    
    EC-No.        220-600-8    
    Index-No.        611-055-00-0    
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Consult a physician.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  Indication of any immediate medical attention and special treatment needed
    no data available

SECTION 5: Firefighting measures
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides, nitrogen oxides (NOx)
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
    adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
    For personal protection see section 8.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
    containers for disposal.
  Reference to other sections
    For disposal see section 13.

SECTION 7: Handling and storage
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
    Provide appropriate exhaust ventilation at places where dust is formed.
    For precautions see section 2.2.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  Specific end use(s)
    A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Face shield and safety glasses Use equipment for eye protection tested and approved under
    appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
    Full contact
    Material: Nitrile rubber
    Minimum layer thickness: 0,11 mm
    Break through time: 480 min
    Splash contact
    Material: Nitrile rubber
    Minimum layer thickness: 0,11 mm
    Break through time: 480 min
    test method: EN374
    If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
    contact the supplier of the CE approved gloves. This recommendation is advisory only and must
    be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
    anticipated use by our customers. It should not be construed as offering an approval for any
    specific use scenario.
  Body Protection
    Complete suit protecting against chemicals, The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
    respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
    controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
    respirators and components tested and approved under appropriate government standards such
    as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: powder    
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        Melting point/range: 268 - 270 °C - lit.    
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available    
    h) Evapouration rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        no data available    
    n) Water solubility        no data available    
    o) Partition coefficient: n- log Pow: 3,6
    octanol/water
    p) Auto-ignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

SECTION 10: Stability and reactivity
  Reactivity
    no data available
  Chemical stability
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitisation
  Germ cell mutagenicity
    Hamster
    ovary
    Sister chromatid exchange
    mouse
    DNA damage
  Carcinogenicity
    Carcinogenicity - rat - Oral
    Tumorigenic:Carcinogenic by RTECS criteria. Liver:Tumors. Leukaemia
    Carcinogenicity - mouse - Oral
    Tumorigenic:Carcinogenic by RTECS criteria. Lungs, Thorax, or Respiration:Tumors. Liver:Tumors.
    Carcinogenicity - mouse - Oral
    Tumorigenic:Equivocal tumorigenic agent by RTECS criteria. Lungs, Thorax, or Respiration:Tumors.
    Lungs, Thorax, or Respiration:Bronchiogenic carcinoma.
    This product is or contains a component that has been reported to be possibly carcinogenic based on its
    IARC, ACGIH, NTP, or EPA classification.
    Limited evidence of carcinogenicity in animal studies
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Additional Information
    RTECS: AC3662000
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.

SECTION 12: Ecological information
  Toxicity
    Toxicity to fish        LC50 - Pimephales promelas (fathead minnow) - > 180 mg/l - 96 h    
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
  Other adverse effects
    no data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: -        IMDG: -        IATA: -    
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods    
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -    
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2927000090

概述:
2927000090 其他重氮化合物、偶氮化合物等(包括氧化偶氮化合物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2927000090 other diazo-, azo- or azoxy-compounds。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:77.07

2、   摩尔体积(m3/mol):224.0

3、   等张比容(90.2K):579.4

4、   表面张力(dyne/cm):44.7

5、   介电常数(F/m):无可用

6、   偶极距(D):无可用

7、   极化率(10-24cm3):30.55

计算化学数据


1   疏水参数计算参考值(XlogP):1.6

2   氢键供体数量:2

3   氢键受体数量:4

4   可旋转化学键数量:3

5   互变异构体数量:8

 6   拓扑分子极性表面积(TPSA):70.6

7   重原子数量:20

8   表面电荷:0

9   复杂度:483

10同位素原子数量:0

11确定原子立构中心数量:0

12不确定原子立构中心数量:0

13确定化学键立构中心数量:1

14不确定化学键立构中心数量:0

15共价键单元数量:1

 

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