氨鲁米特

氨鲁米特 基本信息
CAS号 125-84-8 分子式 C13H16N2O2
分子量 232.27800 精确质量  232.12100
PSA  72.19000 LogP  2.26320

等价的CAS号:

125-84-8,55511-44-9,55511-45-0,57288-03-6

基本信息 展开↓

CAS号:
125-84-8
3D弹球模型:
立即前往扯扯看
分子式:
C13H16N2O2
分子量:
232.27800
中文名称:
氨鲁米特
英文名称:
aminoglutethimide
中文别名:
氨鲁米特;
3-乙基-3-(4-氨基苯基)-2,6-哌啶二酮;
头孢哌酮
英文别名:
aminoglutethimide;
Aminoglutethimide;
3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione;
3-(p-Aminophenyl)-3-ethylpiperidine-2,6-dione (3-(4-Aminophenyl)-3-ethyl-2,6-piperidinedione;
DL-Aminoglutethimide;
3-(p-Aminophenyl)-3-ethylpiperidine-2,6-dione 3-(4-Aminophenyl)-3-ethyl-2,6-piperidinedione
精确分子量/精确质量:
232.12100
极性分子表面积/PSA:
72.19000
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:
MFCD00010122
EINECS:
204-756-4
PubChem:
24278142
InChI:
The Key: ROBVIMPUHSLWNV-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


原料药。

用途简介


物化性质展开↓

外观与性状:
近乎于白色粉末
密度:
1.173 g/cm3
熔点:
152-154 °C(lit.)
沸点:
457.4ºC at 760 mmHg
闪点:
230.4ºC
折射率:
1.566
蒸汽压:
1.5E-08mmHg at 25°C
存储条件/存储方法:
库房通风低温干燥
稳定性相关:

常温常压下稳定

其它信息:

1.        性状:白色粉末

2.        密度(g/mL,0):未确定

3.        相对蒸汽密度(g/mL,空气=1):未确定

4.        熔点(ºC):152-154

5.        沸点(ºC,常压):457

6.        沸点(ºC,KPa):未确定

7.        折射率:未确定

8.        闪点(ºC):230

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(mmHg,25ºC):未确定

12.     饱和蒸气压(kPa,20ºC):未确定

13.     燃烧热(KJ/mol):71.8

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:水:0.2mg/ml

安全信息展开↓

包装等级:
III
风险类别:
6.1(b)
海关代码:
2925190090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S26-S36
RTECS号:
MA4026950
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志:
Xi:Irritant;

合成路线查看所有的合成路线

  • 38527-73-0

    3-乙基-3-(4-硝基苯基)-2,6-哌啶二酮

  • ~94%

  • 125-84-8

    氨鲁米特

  • 183663-75-4

    183663-75-4

  • 125-84-8

    氨鲁米特

  • 183663-77-6

    183663-77-6

  • 125-84-8

    氨鲁米特

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MA4026950
CHEMICAL NAME :
Glutarimide, 2-(p-aminophenyl)-2-ethyl-
CAS REGISTRY NUMBER :
125-84-8
BEILSTEIN REFERENCE NO. :
0210656
LAST UPDATED :
199612
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C13-H16-N2-O2
MOLECULAR WEIGHT :
232.31
WISWESSER LINE NOTATION :
T6VMVTJ D2 DR DZ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
20500 mg/kg/94W-I
TOXIC EFFECTS :
Blood - agranulocytosis
REFERENCE :
BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 291,970,1985
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
21 mg/kg/3D-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
AIMEAS Annals of Internal Medicine. (American College of Physicians, 4200 Pine St., Philadelphia, PA 19104) V.1- 1927- Volume(issue)/page/year: 105,633,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
625 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - antipsychotic
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,736,1975 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
3630 mg/kg
SEX/DURATION :
female 1-35 week(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
AJDCAI American Journal of Diseases of Children. (AMA, 535 N. Dearborn St., Chicago, IL 60610) V.1-80(3), 1911-50; V.100- 1960- Volume(issue)/page/year: 124,421,1972 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5423 No. of Facilities: 18 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 403 (estimated) No. of Female Employees: 179 (estimated)
毒理学数据:

1、  急性毒性:女人经口TDLo:20500mg/kg/94W-I

             男人经口LDLo:21mg/kg3D-I

             小鼠腹腔LD50:625mg/k

2、  生殖毒性:女人经口TDLo:3630mg/kg

生态数据:

根据国家和地方有关法规的要求处置。或与厂商或制造商联系,确定处置方法。

MSDS 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : DL-Aminoglutethimide    
    CAS-No.        : 125-84-8    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
    Skin irritation (Category 2)
    Eye irritation (Category 2)
    Specific target organ toxicity - single exposure (Category 3)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Irritating to eyes, respiratory system and skin.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H335        May cause respiratory irritation.    
    Precautionary statement(s)
    P261        Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.    
    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
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R36/37/38        Irritating to eyes, respiratory system and skin.    
    S-phrase(s)
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S36        Wear suitable protective clothing.    
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : 3-(p-Aminophenyl)-3-ethylpiperidine-2,6-dione    
    3-(4-Aminophenyl)-3-ethyl-2,6-piperidinedione
    Formula        : C13H16N2O2    
    Molecular Weight        : 232,28 g/mol    
    Component        Concentration    
  Aminoglutethimide
    CAS-No.        125-84-8        -    
    EC-No.        204-756-4    

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
  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 vapors, mist or gas. Ensure
    adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
  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.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  Specific end uses
    no data available

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.
    Immersion protection
    Material: Nitrile rubber
    Minimum layer thickness: 0,11 mm
    Break through time: > 480 min
    Material tested:Dermatril® ( Z677272, Size M)
    Splash protection
    Material: Nitrile rubber
    Minimum layer thickness: 0,11 mm
    Break through time: > 30 min
    Material tested:Dermatril® ( Z677272, Size M)
    data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 873000,     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 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
    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).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: powder    
    Colour: off-white
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        Melting point/range: 152 - 154 °C - lit.    
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available    
    h) Evaporation 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) Autoignition        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
    no data available
  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

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    LD50 Intraperitoneal - mouse - 625 mg/kg
    Remarks: Behavioral:Somnolence (general depressed activity). Behavioral:Antipsychotic.
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    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
    Damage to fetus possible
    Developmental Toxicity - Human - female - Oral
    Specific Developmental Abnormalities: Urogenital system.
  Specific target organ toxicity - single exposure
    Inhalation - May cause respiratory irritation.
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        May be harmful if inhaled. Causes respiratory tract irritation.    
  Ingestion
    May be harmful if swallowed.
  Skin        May be harmful if absorbed through skin. Causes skin irritation.    
  Eyes
    Causes serious eye irritation.
  Additional Information
    RTECS: MA4026950

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    no data available
  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. 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
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2925190090

概述:
2925190090 其他酰亚胺及其衍生物盐. 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:
2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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:64.58

2、摩尔体积(cm3/mol):197.9

3、等张比容(90.2K):517.4

4、表面张力(dyne/cm):46.6

5、介电常数:无可用的

6、极化率(10-24cm3):25.6

7、单一同位素质量:232.121178Da

8、标称质量:232Da

9、平均质量:232.2783Da

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:2

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:5

6.拓扑分子极性表面积72.2

7.重原子数量:17

8.表面电荷:0

9.复杂度:321

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:1

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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