活性艳蓝X-ARL

活性艳蓝X-ARL 基本信息
CAS号 13324-20-4 分子式 C23H14Cl2N6O8S2
分子量 637.42900 精确质量  635.96900
PSA  248.39000 LogP  6.40540

基本信息 展开↓

CAS号:
13324-20-4
3D弹球模型:
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分子式:
C23H14Cl2N6O8S2
分子量:
637.42900
中文名称:
活性艳蓝X-ARL
英文名称:
Reactive Blue 4
中文别名:
活性艳蓝X-ARL;
活性蓝4;
活性艳蓝X-BR
英文别名:
Reactive Blue 4;
Procion Blue MX-R;
REACTIVE BLUE 4
精确分子量/精确质量:
635.96900
极性分子表面积/PSA:
248.39000
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:
MFCD00001218
EINECS:
236-363-9
PubChem:
24887882
BRN:
602258
InChI:
InChI=1/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)

生产制备方法及用途展开↓

制备方法


由溴氨酸出发,先与间二氨基苯磺酸缩合,再与三聚氯氰进行第二次缩合,而后经盐析;过滤;干燥等处理过程,而制得产品。产品要求外观为绿光蓝色粉末,色光与标准品近似(红光艳蓝),强度为标准品100±3(分),水不溶物≤1%,水分含量≤5%,细度(通地80目筛余物含量)≤5%,水中溶解度(50℃)70g/L。在棉织物上的染色坚牢度符合标准品(日晒牢度6-7级,皂洗;水浸;汗油;熨烫等褪色牢度均为4-5级,干摩擦牢度4级)。原料消耗(kg/t)溴氨酸(100%) 470间二氨基苯磺酸(100%) 310三聚氯氰(99%) 210尿素(工业) 58纯碱(工业) 75烧碱(100%) 15碳酸氢钠 360硫酸铜(95%) 80焦亚硫酸钠 18磷酸三钠 170轻质碳酸钙 200精盐 5000硫酸(100%) 230

合成制备方法


由溴氨酸出发,先与间二氨基苯磺酸缩合,再与三聚氯氰进行第二次缩合,而后经盐析;过滤;干燥等处理过程,而制得产品。产品要求外观为绿光蓝色粉末,色光与标准品近似(红光艳蓝),强度为标准品100±3(分),水不溶物≤1%,水分含量≤5%,细度(通地80目筛余物含量)≤5%,水中溶解度(5070g/L。在棉织物上的染色坚牢度符合标准品(日晒牢度6-7级,皂洗;水浸;汗油;熨烫等褪色牢度均为4-5级,干摩擦牢度4级)。
原料消耗(kg/t)溴氨酸(100% 470间二氨基苯磺酸(100% 310三聚氯氰(99% 210尿素(工业) 58纯碱(工业) 75烧碱(100% 15碳酸氢钠 360硫酸铜(95% 80焦亚硫酸钠 18磷酸三钠 170轻质碳酸钙 200精盐 5000硫酸(100% 230

 

用途简介


用于棉;麻;粘胶;蚕丝和锦纶等纤维及其纺织品的染色和印花。活性艳蓝X-BR是活性X型染料用于棉布直接印花的少数品种之一。常与活性红紫S-2R(用 5%)拼染玫瑰红(艳蓝X-BR用量约 15%)。与活性嫩黄X-6G拼染绿色,用量为10:1,拼色均不作主色。针棉织品漂白时,可用活性艳蓝X-BR作上蓝剂,可增加白度,用量在 05g/L左右。活性艳蓝X-BR染物不耐烟熏,易产生风印,可用乙二胺2g/L处理,予以改善。

用途


用于棉;麻;粘胶;蚕丝和锦纶等纤维及其纺织品的染色和印花。活性艳蓝X-BR是活性X型染料用于棉布直接印花的少数品种之一。常与活性红紫S-2R(用1.5%)拼染玫瑰红(艳蓝X-BR用量约0.15%)。与活性嫩黄X-6G拼染绿色,用量为101,拼色均不作主色。针棉织品漂白时,可用活性艳蓝X-BR作上蓝剂,可增加白度,用量在0.05g/L左右。活性艳蓝X-BR染物不耐烟熏,易产生风印,可用乙二胺2g/L处理,予以改善。

物化性质展开↓

密度:
1.86g/cm3
折射率:
1.774
存储条件/存储方法:

常温密闭,阴凉通风干燥

稳定性相关:

常温常压下稳定

避免的物料 氧化物

其它信息:

1.        性状:深蓝色粉状

2.        密度(g/mL,25):未确定

3.        相对蒸汽密度(g/mL,空气=1):未确定

4.        熔点(ºC):16-18

5.        沸点(ºC,常压):未确定

6.        沸点(ºC5mmHg):未确定

7.        折射率: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(20ºC):0.1mmHg

12.     饱和蒸气压(kPa,60ºC):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(KPa):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:溶于水,50时为90g/L20时为80g/L

 

安全信息展开↓

WGK_Germany:
3
德国有关水污染物质的分类清单
安全说明:
S22-S24/25
RTECS号:
CB1030000
安全标志:
S22:不要吸入粉尘。
S24/25:防止皮肤和眼睛接触。

合成路线查看所有的合成路线

  • 6258-06-6

    溴氨酸

  • 13324-20-4

    活性艳蓝X-ARL

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CB1030000
CHEMICAL NAME :
2-Anthracenesulfonic acid, 1-amino-4-(3-((4,6-dichloro-s-triazin-2-yl)amino)-4-s ulfoanilino)- 9,10-dihydro-9,10-dioxo-
CAS REGISTRY NUMBER :
13324-20-4
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C23-H14-Cl2-N6-O8-S2
MOLECULAR WEIGHT :
637.45

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1328,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8980 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1328,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X8604 No. of Facilities: 140 (estimated) No. of Industries: 4 No. of Occupations: 7 No. of Employees: 7985 (estimated) No. of Female Employees: 5725 (estimated)
毒理学数据:

1.        急性毒性:大鼠口服LD508980mg/kg

2.        皮肤眼睛刺激数据:兔子眼睛标准刺激测试:100 mg/24HREACTION SEVERITY : Moderate

生态数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

MSDS 展开↓


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : Reactive Blue 4    
    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.        : 13324-20-4    
  

SECTION 2: Hazards identification
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008
    Eye irritation (Category 2), H319
    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
    Xi Irritant        R36    
    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)
    Causes serious eye irritation.
    Precautionary statement(s)
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Supplemental Hazard        none    
    Statements
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Substances
    Synonyms        : Procion® blue MX-R    
    1-Amino-4-[3-(4,6-dichlorotriazin-2-ylamino)-4-
    sulfophenylamino]anthraquinone-2-sulfonic acid
    Formula        : C23H14Cl2N6O8S2    
    Molecular Weight        : 637,43 g/mol    
    CAS-No.        : 13324-20-4    
    EC-No.        : 236-363-9    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  1-Amino-4-(2'-(4'',6''-dichloro-s-triazin-2-yl)amino)phenylamino)9,10-dihydro-9,10-dioxoanthracene-
  2,4'-disulphonic acid
    CAS-No.        13324-20-4        Eye Irrit. 2; H319        <= 100 %    
    EC-No.        236-363-9    
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  1-Amino-4-(2'-(4'',6''-dichloro-s-triazin-2-yl)amino)phenylamino)9,10-dihydro-9,10-dioxoanthracene-
  2,4'-disulphonic acid
    CAS-No.        13324-20-4        Xi, R36        <= 100 %    
    EC-No.        236-363-9    
    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
    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
  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), Sulphur oxides, Hydrogen chloride gas
  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. Avoid breathing dust.
    For personal protection see section 8.
  Environmental precautions
    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.Normal measures for preventive fire
    protection.
    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
    Safety glasses with side-shields conforming to EN166 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.
  Body Protection
    impervious clothing, The type of protective equipment must be selected according to the
    concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
    level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
    Use respirators and components tested and approved under appropriate government standards
    such as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    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        no data available    
    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- no data available
    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
    Strong 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
    LD50 Oral - rat - 8.980 mg/kg
  Skin corrosion/irritation
  Serious eye damage/eye irritation
    Eyes - rabbit
    Result: Moderate eye irritation - 24 h
    Remarks: Eye irritation
  Respiratory or skin sensitisation
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    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: CB1030000
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.

SECTION 12: Ecological information
  Toxicity
  Persistence and degradability
  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

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
    professional waste disposal service to dispose of this material. 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
  Full text of R-phrases referred to under sections 2 and 3
    Xi Irritant
    R36 Irritating to eyes.
  Further information
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any


SECTION 16 - ADDITIONAL INFORMATION
N/A

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:142.98

2、   摩尔体积(m3/mol):342.5

3、   等张比容(90.2K):1114.1

4、   表面张力(dyne/cm):111.9

5、   极化率10-24cm3):56.68

计算化学数据


1.疏水参数计算参考值(XlogP):4.7

2.氢键供体数量:5

3.氢键受体数量:14

4.可旋转化学键数量:6

5.互变异构体数量:36

6.拓扑分子极性表面积248

7.重原子数量:41

8.表面电荷:0

9.复杂度:1220

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:0

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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  • 6258-06-6

    溴氨酸

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