13050-47-0

• 常用中文名：3-甲基苯甲酰肼
• 常用英文名：3-Methyl-Benzoylhydrazide
• CAS号：13050-47-0
• 分子式：C₈H₁₀N₂O
• 分子量：150.17800
• 相关类别： 化学试剂 有机试剂 芳烃
• 发布时间：2018-07-21 20:25:11
• 更新时间：2024-01-03 22:57:27

名称

• 中文名: 间甲苯甲酸酰肼
• 英文名: 3-Methyl-Benzoylhydrazide
• 中文别名: 3-甲基苯甲酰肼; 间苯甲酰肼
• 英文别名: 3-methylbenzohydrazide; EINECS 235-926-6; m-Toluic hydrazide; MFCD00014760

物化性质

• 密度: 1.127 g/cm3
• 熔点: 96 °C
• 分子式: C₈H₁₀N₂O
• 分子量: 150.17800
• 精确质量: 150.07900
• PSA: 55.12000
• LogP: 1.68970
• 折射率: 1.568
• 储存条件:

  常温密闭避光，通风干燥处

• 稳定性:

  常温常压下稳定

  避免的物料 氧化物
• 分子结构:

  1、 摩尔折射率：43.60

  2、 摩尔体积（m³/mol）：133.2

  3、 等张比容（90.2K）：347.3

  4、 表面张力（dyne/cm）：46.1

  5、 极化率（10^-24cm³）：17.28

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  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:2

  6.拓扑分子极性表面积55.1

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:147

  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：白色或奶油色晶体状粉末

  2. 密度（g/mL, 25 ℃ ）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：96

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，2mmHg）：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（20ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：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

Material Safety Data Sheet Section1. Identification of the substance M-Toluic acid hydrazide Product Name: Synonyms:3-Methylbenzohydrazide Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation P261:Avoid breathing dust/fume/gas/mist/vapours/spray Wear protective gloves/protective clothing/eye protection/face protection P280: P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing P304+P340:IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing P405:Store locked up Section3. Composition/information on ingredients. M-Toluic acid hydrazide Ingredient name: CAS number:13050-47-0 Section4. First aid measures Immediately wash skin with copious amounts of water for at least 15 minutes while removing Skin contact: 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. Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Ingestion: Section5. 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. Section6. 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. Section7. 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. Storage:Store in closed vessels. Section8. 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. Section9. Physical and chemical properties Not specified Appearance: Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula:C8H10N2O Molecular weight:150.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. 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. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. 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

毒性和生态

毒理学数据: 主要的刺激性影响： 在皮肤上面：刺激皮肤和粘膜 在眼睛上面：刺激的影响 致敏作用：没有已知的敏化现象 生态学数据: 通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 海关编码: 2928000090

合成路线

120-33-2 ~% 13050-47-0

文献：Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), , p. 349 - 355

99-36-5 ~90% 13050-47-0

文献：Murty; Ram, Kesur R.; Rao, Rayudu Venkateswara; Yadav; Rao, Janapala Venkateswara; Pamanji; Velatooru Letters in Drug Design and Discovery, 2012 , vol. 9, # 3 p. 276 - 281

99-04-7 ~79% 13050-47-0

文献：Saha, Ajoy; Kumar, Rajesh; Kumar, Rajendra; Devakumar Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2010 , vol. 49, # 4 p. 526 - 531

1711-06-4 ~% 13050-47-0

文献：Journal of Medicinal Chemistry, , vol. 26, # 8 p. 1187 - 1192

36718-84-0 ~% 100-02-7 13050-47-0

文献：Canadian Journal of Chemistry, , vol. 76, # 6 p. 729 - 737

上下游产品

上游产品  5
120-33-2 99-36-5 99-04-7 1711-06-4
36718-84-0
下游产品  10
106710-48-9 105576-60-1 24023-73-2 99-36-5
99-04-7 66147-19-1 143667-42-9 75218-27-8
85681-45-4 59646-36-5

海关

海关编码	2928000090
中文概述	2928000090 其他肼（联氨）及胲（羟胺）的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。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	2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%