7-氨基-3-氯甲基-3-头孢唑啉-4-羧酸对甲氧苄盐酸盐

7-氨基-3-氯甲基-3-头孢唑啉-4-羧酸对甲氧苄盐酸盐 基本信息
CAS号 113479-65-5 分子式 C16H17ClN2O4S.ClH
分子量 405.30040 精确质量  404.03644
PSA  107.16000 LogP  2.91390

基本信息 展开↓

CAS号:
113479-65-5
3D弹球模型:
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分子式:
C16H17ClN2O4S.ClH
分子量:
405.30040
中文名称:
7-氨基-3-氯甲基-3-头孢唑啉-4-羧酸对甲氧苄盐酸盐
英文名称:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-(chloromethyl)-8-oxo-, (4-methoxyphenyl)methyl ester, hydrochloride (1:1), (6R,7R)-
中文别名:
7-氨基-3-氯甲基-3-头孢唑啉-4-羧酸对甲氧苄盐酸盐;
7-氨基-3-氯-3-头孢唑啉-4羧酸对甲氧苄盐酸盐
英文别名:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-(chloromethyl)-8-oxo-, (4-methoxyphenyl)methyl ester, hydrochloride (1:1), (6R,7R)-;
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-(chloromethyl)-8-oxo-, (4-methoxyphenyl)methyl ester, monohydrochloride, (6R,7R)- (9CI);
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-amino-3-(chloromethyl)-8-oxo-, (4-methoxyphenyl)methyl ester, monohydrochloride, (6R-trans)-;
4-Methoxybenzyl 7β-amino-3-(chloromethyl)-3-cephem-4-carboxylate hydrochloride;
7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester hydrochloride;
p-Methoxybenzyl 7β-amino-3-(chloromethyl)-3-cephem-4-carboxylate hydrochloride
精确分子量/精确质量:
404.03644
极性分子表面积/PSA:
107.16000
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。
InChI:
The Key: LYIIGHOYDRRHAJ-UHFFFAOYSA-N

物化性质展开↓

外观与性状:
淡黄色固体
熔点:
155-157ºC
沸点:
601.1ºC at 760 mmHg
闪点:
317.4ºC
蒸汽压:
1E-14mmHg at 25°C

合成路线查看所有的合成路线

  • 104146-10-3

    7-苯乙酰氨基-3-氯甲基-4-头孢烷酸对甲氧基苄酯

  • 113479-65-5

    7-氨基-3-氯甲基-3-头孢唑啉-4-羧酸对甲氧苄盐酸盐

MSDS 展开↓

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester, HCl    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid p-methoxybenzyl ester, HCl    
    CAS number:        113479-65-5    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire fighting measures
    In the event of a fire involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    health and chemical hazard data given on this sheet.
    Store in closed vessels, under −20◦C.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not specified    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C16H17ClN2O4S.ClH    
    Molecular weight:        405.3    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride, sulfur oxides.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

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    7-苯乙酰氨基-3-氯甲基-4-头孢烷酸对甲氧基苄酯

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