22316-55-8 (氯巴占杂质A,8-Chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione)

CAS号:
22316-55-8
中文名称:
氯巴占杂质A
英文名称:
8-Chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione
安全信息:
分子式:
C15H11ClN2O2
分子量:
286.713042497635

氯巴占杂质A(22316-55-8)名称与标识符

名称

中文别名:
8-氯-1-苯基-1H-1,5-苯并二氮杂卓-2,4(3h,5h)-二酮;氯巴占EP杂质A;氯巴占杂质A;
英文别名:
8-Chloro-1-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione;N-Desmethyl Clobazam;N-Desmethylclobazam solution;Norclobazam;7-Chloro-5-phenyl-1,5-dihydro-3H-1,5-benzodiazepine-2,4-dione N-Desmethylclobazam;7-chloro-5-phenyl-1H-1,5-benzodiazepine-2,4-dione;Clobazam impurity A;7-Chloro-5-phenyl-1,5-dihydro-3H-1,5-benzodiazepine-2,4-dione;N-Desmethylclobazam;7-Chloro-5-phenyl-1,5-dihydro-3H-1,5-benzodiazepine-2,4-dione (Norclobazam);Demethylclobazam;CLOBAZAM METABOLITE M9;Norclobazam, 1mg/ml in Acetonitrile;Clofazin;N-Desmethylclobazam (Norclobazam);Q27284309;8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione;N-Desmethylclobazam (Norclobazam) 0.1 mg/ml in Acetonitrile;AKOS027381895;EINECS 244-909-2;1-phenyl 8-chloro 1,2,4,5-tetrahydro 2,4 -dioxo 3H-1,5-benzodiazepine;8-chloro-1-phenyl-1H-benzo[b][1,4]diazepine-2,4(3H,5H)-dione;1H-1,5-Benzodiazepine-2,4(3H,5H)-dione, 8-chloro-1-phenyl-;MZ4L647O2H;N-Demethylclobazam;SCHEMBL4531733;DTXSID40176859;CHEBI:190616;N-Desmethyl Clobazam (1.0mg/ml in Acetonitrile);FT-0666102;CHEMBL2260842;22316-55-8;N-Desmethyl Clobazam-d5;Desmethylclobazam;NS00004062;Clobazam-M nor;7-Chloro-5-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione;N-Desmethyl Clobazam (100 ug/mL in Acetonitrile );CLOBAZAM IMPURITY A [EP IMPURITY];5-phenyl-7-chloro-1H-1,5-benzodiazepine-2,4-(3H,5H)-dione;7-chloro-5-phenyl-1,2,3,5-tetrahydro-4H-1,5-benzodiazepin-2,4-dione;UNII-MZ4L647O2H;1-phenyl 8-chloro 1,2,4,5-tetrahydro 2,4-dioxo 3H-1,5-benzodiazepine;NOR-CLOBAZAM;FT-0666101;N-Desmethylclobazam (nor-Clobazam);DB-359964;

标识符

MDL:
MFCD00871860
InChIKey:
RRTVVRIFVKKTJK-UHFFFAOYSA-N
Inchi:
1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)
SMILES:
ClC1C=CC2=C(C=1)N(C1C=CC=CC=1)C(CC(N2)=O)=O

氯巴占杂质A(22316-55-8)物化性质

实验特性

  • LogP : 3.49700
  • PSA : 52.90000
  • 折射率 : 1.631
  • 沸点 : 601.8 °C at 760 mmHg
  • 熔点 : >239°C (dec.)
  • 闪点 : 华氏:35.6 °F
    摄氏:2 °C
  • 浓度 : 1.0 mg/mL (acetonitrile:DMSO (90:10 v/v))
  • 密度 : 1.363

计算特性

  • 精确分子量 : 286.05100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 1
  • 同位素质量 : 286.051
  • 重原子数量 : 20
  • 复杂度 : 395
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.9
  • 拓扑分子极性表面积 : 49.4A^2

氯巴占杂质A(22316-55-8)国际标准相关数据

EINECS:
200-835-2

氯巴占杂质A(22316-55-8)海关数据

海关编码:
2933990090
海关数据:

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

氯巴占杂质A(22316-55-8)推荐厂家 更多厂家(7)

公司名称手机号/电话联系人QQ微信询单
湖北扬信医药科技有限公司 18672002673
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江苏艾康生物医药研发有限公司 18795912720
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济南凯化化工有限公司 13153183025
0531-86986780
宋小姐 554077345 询单

氯巴占杂质A(22316-55-8)相关文献

氯巴占杂质A(22316-55-8) MSDS

基础信息


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : N-Desmethylclobazam    
  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]
    Flammable liquids (Category 2)
    Acute toxicity, Oral (Category 4)
    Acute toxicity, Inhalation (Category 4)
    Eye irritation (Category 2)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Highly flammable. Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H225        Highly flammable liquid and vapour.    
    H302 + H332        Harmful if swallowed or if inhaled    
    H319        Causes serious eye irritation.    
    Precautionary statement(s)
    P210        Keep away from heat/sparks/open flames/hot surfaces. - No smoking.    
    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)
    R11        Highly flammable.    
    R20/21/22        Harmful by inhalation, in contact with skin and if swallowed.    
    R36        Irritating to eyes.    
    S-phrase(s)
    S16        Keep away from sources of ignition - No smoking.    
    S36/37        Wear suitable protective clothing and gloves.    
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Mixtures
    Component        Classification        Concentration    
  Acetonitrile
    CAS-No.        75-05-8        Flam. Liq. 2; Acute Tox. 4; Eye 50 - 100 %    
    EC-No.        200-835-2        Irrit. 2; H225, H302 + H312 +    
    Index-No.        608-001-00-3        H332, H319    
    Registration number        01-2119471307-38-XXXX    
    F, Xn, R11 - R20/21/22 - R36
    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
    Do NOT induce vomiting. 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
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
    Treat as cyanide poisoning., Always have on hand a cyanide first-aid kit, together with proper instructions.,
    The onset of symptoms is generally delayed pending conversion to cyanide., Nausea, Vomiting, Diarrhoea,
    Headache, Dizziness, Rash, Cyanosis
  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
    no data available
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    Use water spray to cool unopened containers.

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
    Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
    form explosive concentrations. Vapours can accumulate in low areas.
  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
    Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
    place in container for disposal according to local regulations (see section 13).
  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 inhalation of vapour or mist.
    Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
    charge.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
    opened must be carefully resealed and kept upright to prevent leakage.
    Recommended storage temperature: -20 °C
  Specific end use(s)
    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
    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.
  Body Protection
    Complete suit protecting against chemicals, Flame retardant antistatic protective 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
    Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
    with multi-purpose combination (US) or type ABEK (EN 14387) 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).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: liquid    
    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 81 - 82 °C at 1,013 hPa81 - 82 °C at 1,013 hPa
    boiling range
    g) Flash point        2 °C - closed cup2 °C - closed cup    
    h) Evaporation rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        Upper explosion limit: 16 %(V)    
    flammability or        16 %(V)    
    explosive limits        Lower explosion limit: 4,4 %(V)4,4 %(V)    
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        0,782 g/cm3 at 20 °C0,782 g/cm3 at 20 °C    
    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
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    Heat, flames and sparks. Extremes of temperature and direct sunlight.
  Incompatible materials
    acids, Bases, Oxidizing agents, Alkali metals
  Hazardous decomposition products
    Other decomposition products - no data available

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 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
    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
  Potential health effects
  Inhalation        Harmful if inhaled. May cause respiratory tract irritation.    
  Ingestion        Harmful if swallowed.    
  Skin        May be harmful if absorbed through skin. May cause skin irritation.    
  Eyes        Causes serious eye irritation.    
  Signs and Symptoms of Exposure
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
    Treat as cyanide poisoning., Always have on hand a cyanide first-aid kit, together with proper instructions.,
    The onset of symptoms is generally delayed pending conversion to cyanide., Nausea, Vomiting, Diarrhoea,
    Headache, Dizziness, Rash, Cyanosis
  Additional Information
    RTECS: Not available

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
    Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
    as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
    company.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: 1648        IMDG: 1648        IATA: 1648    
  UN proper shipping name
    ADR/RID: ACETONITRILE, SOLUTION
    IMDG: ACETONITRILE, SOLUTION
    IATA:        Acetonitrile, SOLUTION    
  Transport hazard class(es)
    ADR/RID: 3        IMDG: 3        IATA: 3    
  Packaging group
    ADR/RID: II        IMDG: II        IATA: II    
  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