1-氨基-2-甲基丙烷-2-硫醇

1-氨基-2-甲基丙烷-2-硫醇 基本信息
CAS号 32047-53-3 分子式 C4H12ClNS
分子量 141.66300 精确质量  141.03800
PSA  64.82000 LogP  2.15580

基本信息 展开↓

CAS号:
32047-53-3
3D弹球模型:
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分子式:
C4H12ClNS
分子量:
141.66300
中文名称:
1-氨基-2-甲基丙烷-2-硫醇
英文名称:
DIMETHYLCYSTEAMINE HYDROCHLORIDE
中文别名:
1-氨基-2-甲基丙烷-2-硫醇;
二甲基半胱氨盐酸盐;
二甲基半胱胺盐酸盐
英文别名:
DIMETHYLCYSTEAMINE HYDROCHLORIDE;
1-amino-2-methyl-2-propanthiol-hydrochloride;
DimethylcystamineHcl;
1-Amino-2-methylpropane-2-thiol hydrochloride;
2-mercaptoisobutylamine hydrochloride;
1-Amino-2-methyl-propan-2-thiol,Hydrochlorid;
1-Amino-2-methyl-2-propanethiol hydrochloride DMCHCL;
1-AMINO-2-METHYLPROPANE-2-THIOL;
1-amino-2-methyl-2-propanethiol hydrochloride
精确分子量/精确质量:
141.03800
极性分子表面积/PSA:
64.82000
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。
EINECS:
434-480-1
InChI:
InChI=1/C4H11NS.ClH/c1-4(2,6)3-5;/h6H,3,5H2,1-2H3;1H

生产制备方法及用途展开↓

制备方法


用于类风湿性关节炎,慢性活动性肝炎,硬皮病,口干色燥,关节炎综合征等自身免疫性疾病,可见有明显的效果。对类风湿性关节炎,可减轻关节疼痛,肿胀及渗液等情况。

用途简介


物化性质展开↓

密度:
0.936 g/cm3
沸点:
146.2ºC at 760 mmHg
闪点:
42.2ºC

安全信息展开↓

海关代码:
2930909090

MSDS 展开↓

    Product Name        1-AMINO-2-METHYL-2-PROPANETHIOL HYDRO- &    
    2 - Hazards Identification
    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Irritating to eyes, respiratory system and skin.
    3 - Composition/Information on Ingredients
    Product Name        CAS #        EC no        Annex I    
    1-AMINO-2-METHYL-2-PROPANETHIOL 32047-53-3 None        None    
    HYDRO-CHLORIDE, 97%
    Formula        C4H11NS    
    Molecular Weight 141,6700 AMU
    4 - First Aid Measures
    AFTER INHALATION
    If inhaled, remove to fresh air. If not breathing give
    artificial respiration. If breathing is difficult, give oxygen.
    AFTER SKIN CONTACT
    In case of contact, immediately wash skin with soap and copious
    amounts of water.
    AFTER EYE CONTACT
    In case of contact, immediately flush eyes with copious amounts
    of water for at least 15 minutes.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.
    5 - Fire Fighting Measures
    EXTINGUISHING MEDIA
    Suitable: Water spray. Carbon dioxide, dry chemical powder, or
    appropriate foam.
    SPECIAL RISKS
    Specific Hazard(s): Emits toxic fumes under fire conditions.
    SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
    Wear self-contained breathing apparatus and protective clothing
    to prevent contact with skin and eyes.
    6 - Accidental Release Measures
    PERSONAL PRECAUTION PROCEDURES TO BE FOLLOWED IN CASE OF LEAK OR SPILL
    Evacuate area.
    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Wear self-contained breathing apparatus, rubber boots, and heavy
    rubber gloves.
    METHODS FOR CLEANING UP
    Sweep up, place in a bag and hold for waste disposal. Avoid
    raising dust. Ventilate area and wash spill site after material
    pickup is complete.
    7 - Handling and Storage
    HANDLING
    Directions for Safe Handling: Do not breathe dust. Avoid contact
    with eyes, skin, and clothing.
    STORAGE
    Conditions of Storage: Keep tightly closed. Store in a cool dry
    place.
    8 - Exposure Controls / Personal Protection
    ENGINEERING CONTROLS
    Safety shower and eye bath. Use only in a chemical fume hood.
    GENERAL HYGIENE MEASURES
    Wash thoroughly after handling. Wash contaminated clothing before
    reuse.
    PERSONAL PROTECTIVE EQUIPMENT
    Respiratory Protection: Use respirators and components tested and
    approved under appropriate government standards such as NIOSH (US)
    or CEN (EU). Where risk assessment shows air-purifying respirators
    are appropriate use a dust mask type N95 (US) or type P1 (EN 143)
    respirator.
    Hand Protection: Compatible chemical-resistant gloves.
    Eye Protection: Chemical safety goggles.
    9 - Physical and Chemical Properties
    pH N/A
    BP/BP Range        N/A    
    MP/MP Range        243,000 °C    
    Flash Point        N/A    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties N/A
    Explosive Properties N/A
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    Partition Coefficient N/A
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc. N/A
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/A    
    10 - Stability and Reactivity
    STABILITY
    Materials to Avoid: Strong oxidizing agents.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide,
    Nitrogen oxides, Sulfur oxides, Hydrogen chloride gas.
    11 - Toxicological Information
    SIGNS AND SYMPTOMS OF EXPOSURE
    To the best of our knowledge, the chemical, physical, and
    toxicological properties have not been thoroughly investigated.
    Nausea, headache, and vomiting. Exposure can cause:
    ROUTE OF EXPOSURE
    Inhalation: Material is irritating to mucous membranes and upper
    respiratory tract.
    Multiple Routes: May be harmful by inhalation, ingestion, or
    skin absorption. Causes eye and skin irritation.
    12 - Ecological Information
    No data available.
    13 - Disposal Considerations
    SUBSTANCE DISPOSAL
    Dissolve or mix the material with a combustible solvent and burn
    in a chemical incinerator equipped with an afterburner and
    scrubber. Observe all federal, state, and local environmental
    regulations.
    14 - Transport Information
    RID/ADR
    Non-hazardous for road transport.
    IMDG
    Non-hazardous for sea transport.
    IATA
    UN#: 3335
    Class: 9
    Proper Shipping Name: Aviation Regulated Solid, N.O.S.
    Inhalation Packing Group I: No
    Technical Name: Required
    15 - Regulatory Information
    CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
    INDICATION OF DANGER: Xi
    Irritant.
    R-PHRASES: 36/37/38
    Irritating to eyes, respiratory system and skin.
    S-PHRASES: 26-36
    In case of contact with eyes, rinse immediately with plenty of
    water and seek medical advice. Wear suitable protective
    clothing.
    Caution: Substance not yet fully tested (EU).
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 3


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2930909090

概述:
2930909090. 其他有机硫化合物. 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:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

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:3

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积:27

7.重原子数量:7

8.表面电荷:0

9.复杂度:42.8

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:2

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