34272-64-5

• 常用中文名：头孢地嗪侧链酸
• 常用英文名：2-Mercapto-4-methyl-5-thiazoleacetic acid
• CAS号：34272-64-5
• 分子式：C₆H₇NO₂S₂
• 分子量：189.255
• 发布时间：2018-09-22 18:31:20
• 更新时间：2024-01-02 21:56:31
• 用作头孢类原料药及中间体

名称

• 中文名: 2-巯基-4-甲基-5-噻唑乙酸
• 英文名: 2-Mercapto-4-methyl-5-thiazoleacetic acid
• 中文别名: 头孢地嗪侧链酸; MTAA/MMTA头孢地嗪侧链酸; (2-巯基-4-甲基-噻唑-5-基)-乙酸; 2-巯基-4-甲基-1,3-噻唑-5-基乙酸; 5-(羧甲基)-2-巯基-4-甲基噻唑; (2-巯基-4-甲基-5-噻唑基)乙酸
• 英文别名: (4-Methyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)acetic acid; 2-MERCAPTO-4-METHYLTHIAZOLE-5-ACETIC ACID; 5-Thiazoleacetic acid, 2,3-dihydro-4-methyl-2-thioxo-; 5-carboxymethyl-4-methylthiazole-2-thiol; (2-Mercapto-4-methyl-5-thiazolyl)acetic Acid; 5-(Carboxymethyl)-2-mercapto-4-methylthiazole; MMTA; 2-mercapto-4-methyl-5-thiazoleaceticaci; 5-carboxymethyl-2-mercapto-4-methylthiazole; 2-Mercapto-4-methyl; 4-Methyl-2-mercaptothiazole-5-acetic acid; 2-Mercapto-4-Methyl-5-Thiazole; 2-mercapto-4-methyl-1,3-thiazol-5-ylacetic acid; 2-mercapto-4-methylthiazole-5-yl acetic acid; EINECS 251-905-4; MFCD01750430; 2-Mercapto-4-methylthizaol-5-yl)acetic acid; 5-carboxymethyl-2-mercapto-4-methyl-1,3-thiazole; (2-mercapto-4-methyl-1,3-thiazol-5-yl)acetic acid; 2-MERCAPTO-4-METHYL-5-THIAZOLEACETIC ACID; 2-mercapto-4-methyl-5-Thiazole acetic acid(MMTA); 2-Mercapto-4-Methylthiazol; Cefodizime Impurity 3

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 375.6±34.0 °C at 760 mmHg
• 熔点: 207 °C (dec.)(lit.)
• 分子式: C₆H₇NO₂S₂
• 分子量: 189.255
• 闪点: 181.0±25.7 °C
• 精确质量: 188.991821
• PSA: 117.23000
• LogP: 1.41
• 外观性状: 白色至淡黄色晶体粉末
• 蒸汽压: 0.0±0.9 mmHg at 25°C
• 折射率: 1.650
• 储存条件: 室温
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.7

  2.氢键供体数量:2

  3.氢键受体数量:4

  4.可旋转化学键数量:2

  5.互变异构体数量:2

  6.拓扑分子极性表面积107

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:247

  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

• 更多:

  1. 性状：未确定

  2. 密度（g/mL,20℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：207

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,KPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  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（Pa,20ºC）：未确定

  12. 饱和蒸气压（KPa,20ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  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：未确定

MSDS

(2-Mercapto-4-methyl-5-thiazolyl)acetic Acid Revision number: 5.3 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:(2-Mercapto-4-methyl-5-thiazolyl)acetic Acid Revision number:5.3 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified HEALTH HAZARDS Skin corrosion/irritationCategory 2 Category 2A Serious eye damage/eye irritation ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordWarning Hazard statementsCauses skin irritation Causes serious eye irritation Precautionary statements: Wash hands thoroughly after handling. [Prevention] Wear protective gloves/eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, [Response] if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:(2-Mercapto-4-methyl-5-thiazolyl)acetic Acid Percent:>98.0%(GC)(T) CAS Number:34272-64-5 Synonyms:5-(Carboxymethyl)-2-mercapto-4-methylthiazole C6H7NO2S2 Chemical Formula: Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Section4. FIRST AID MEASURES Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Safety glasses. A face-shield, if the situation requires. Eye protection: Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Crystal- Powder Form: Colour:White - Slightly pale yellow No data available Odour: Section9. PHYSICAL AND CHEMICAL PROPERTIES pH: No data available Melting point/freezing point:211°C (dec.) Boiling point/range:No data available Flash point:No data available Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:No data available Solubility(ies): [Water]No data available [Other solvents]No data available Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Sulfur oxides products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:ivn-mus LD50:1680 mg/kg Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: No data available IARC = NTP =No data available Reproductive toxicity:No data available RTECS Number:XJ1921000 Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobility in soil Log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations UN-No:Not listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1、 急性毒性：小鼠静脉注射LD50：1680mg/kg CHEMICAL IDENTIFICATION RTECS NUMBER : XJ1921000 CHEMICAL NAME : 5-Thiazoleacetic acid, 2-mercapto-4-methyl- CAS REGISTRY NUMBER : 34272-64-5 LAST UPDATED : 198306 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C6-H7-O2-S2 MOLECULAR WEIGHT : 175.25 WISWESSER LINE NOTATION : T5N CSJ BSH D1VQ E1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1680 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 26,497,1971

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: UN 3335
• WGK德国: 3
• RTECS号: XJ1921000
• 海关编码: 2934100090

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海关

海关编码	2934100090
中文概述	2934100090. 结构上含有一个非稠合噻唑环的化合物(不论是否氢化). 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:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%