2-氨基-3-氰基-4-氯噻吩-5-甲醛

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学

2-氨基-3-氰基-4-氯噻吩-5-甲醛 基本信息

中文名称:
2-氨基-3-氰基-4-氯噻吩-5-甲醛 
中文别名:
2-氨基-4-氯-3-氰基-5-甲酰基噻吩;
2-氨基-4-氯-5-甲酰基噻吩-3-甲腈;
2-氨基-3-氰基-4-氯-5-甲醛基噻吩 
英文名称:
3-Thiophenecarbonitrile,2-amino-4-chloro-5-formyl-
英文别名:
2-Amino-3-Cyano-4-Chloro-5-Formylthiophene;
2-amino-4-chloro-5-formylthiophene-3-carbonitrile;
2-Amino-4-chloro-3-cyano-5-formylthiophene;
2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile 
CAS No.:
104366-23-6
分 子 式:

C6H3ClN2OS

分 子 量:
186.62
精确分子量:
185.96500
PSA:
95.12000
MDL:
MFCD03788265
InChI:
InChI=1/C6H3ClN2OS/c7-5-3(1-8)6(9)11-4(5)2-10/h2H,9H2
危险品标志:

风险术语:

 

安全术语:

 

分子结构式:
SDS:
查看

2-氨基-3-氰基-4-氯噻吩-5-甲醛 物化性质

密度:
1.58 g/cm3
沸点:
366.3ºC at 760 mmHg
闪点:
175.3ºC
折射率:
1.646
蒸汽压:
1.48E-05mmHg at 25°C

2-氨基-3-氰基-4-氯噻吩-5-甲醛 安全信息

海关代码:
2934999090
危险标志:
Xi:Irritant;

2-氨基-3-氰基-4-氯噻吩-5-甲醛 MSDS


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile    
    CAS-No.        : 104366-23-6    
  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]
    Acute toxicity, Oral (Category 3)
    Skin corrosion (Category 1B)
    Skin sensitization (Category 1)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Harmful if swallowed. May cause sensitization by skin contact. Causes burns.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H301        Toxic if swallowed.    
    H314        Causes severe skin burns and eye damage.    
    H317        May cause an allergic skin reaction.    
    Precautionary statement(s)
    P280        Wear protective gloves/ protective clothing/ eye protection/ face    
    protection.
    P301 + P310        IF SWALLOWED: Immediately call a POISON CENTER or doctor/    
    physician.
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    P310        Immediately call a POISON CENTER or doctor/ physician.    
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R22        Harmful if swallowed.    
    R43        May cause sensitization by skin contact.    
    R34        Causes burns.    
    S-phrase(s)
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S36/37/39        Wear suitable protective clothing, gloves and eye/face protection.    
    S45        In case of accident or if you feel unwell, seek medical advice immediately    
    (show the label where possible).
  Other hazards
    Lachrymator.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : 2-Amino-3-cyano-4-chlorothiophene-5-carboxaldehyde    
    Formula        : C6H3ClN2OS    
    Molecular Weight        : 186,62 g/mol    
    Component        Concentration    
  2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile
    CAS-No.        104366-23-6        -    

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
    Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Take
    victim immediately to hospital. 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
    Cough, Shortness of breath, Headache, Nausea, Vomiting
  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
    Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate
    ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
  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.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.
    Recommended storage temperature: 2 - 8 °C
    Light sensitive. Heat sensitive. Stench.
  Specific end uses
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
    the product.
  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, 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).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: solid    
    b) Odour        Stench.    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        Melting point/range: 270 - 271 °C    
    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
    Oxidizing agents, acids
  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
    May cause allergic skin reaction.
  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
    May be harmful if inhaled. Material is extremely destructive to the tissue of
    the mucous membranes and upper respiratory tract.
  Ingestion        Toxic if swallowed. Causes burns.    
  Skin        May be harmful if absorbed through skin. Causes skin burns.    
  Eyes
    Causes eye burns.
  Signs and Symptoms of Exposure
    Cough, Shortness of breath, Headache, Nausea, Vomiting
  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
    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: 2923        IMDG: 2923        IATA: 2923    
  UN proper shipping name
    ADR/RID: CORROSIVE SOLID, TOXIC, N.O.S. (2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile)
    IMDG: CORROSIVE SOLID, TOXIC, N.O.S. (2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile)
    IATA:        Corrosive solid, toxic, n.o.s. (2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile)    
  Transport hazard class(es)
    ADR/RID: 8 (6.1)        IMDG: 8 (6.1)        IATA: 8 (6.1)    
  Packaging group
    ADR/RID: III        IMDG: III        IATA: III    
  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
    no data available

Section 16. OTHER INFORMATION
  Further information
    Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
    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
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

2-氨基-3-氰基-4-氯噻吩-5-甲醛 海关数据

中国海关编码:2934999090

概述:
2934999090. 其他杂环化合物. 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
摘要/Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-氨基-3-氰基-4-氯噻吩-5-甲醛 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:42.87

2、  摩尔体积(cm3/mol):118.0

3、  等张比容(90.2K):350.1

4、  表面张力(dyne/cm):77.3

5、  极化率(10-24cm3):16.99

计算化学数据

1.疏水参数计算参考值(XlogP):1.9

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:1

5.互变异构体数量:4

6.拓扑分子极性表面积95.1

7.重原子数量:11

8.表面电荷:0

9.复杂度:214

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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