7658-80-2

• 常用中文名：2-甲苯甲酰肼
• 常用英文名：2-methylbenzohydrazide
• CAS号：7658-80-2
• 分子式：C₁₅H₁₄N₂O₂
• 分子量：254.284
• 相关类别： 化学试剂 有机试剂 肼
• 发布时间：2018-06-27 12:05:44
• 更新时间：2024-01-05 18:03:38

名称

• 中文名: 2-甲苯甲酰肼
• 英文名: 2-Methylbenzohydrazide
• 中文别名: 邻甲苯甲酰肼
• 英文别名: 1,3-Benzodioxol-5-amine, 6-[(E)-[(4-methylphenyl)imino]methyl]-; 6-{(E)-[(4-Methylphenyl)imino]methyl}-1,3-benzodioxol-5-amine; 2-methylbenzohydrazide; MFCD00014756; EINECS 231-623-8

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 448.5±45.0 °C at 760 mmHg
• 熔点: 121-125 °C
• 分子式: C₁₅H₁₄N₂O₂
• 分子量: 254.284
• 闪点: 225.1±28.7 °C
• 精确质量: 254.105530
• PSA: 55.12000
• LogP: 2.42
• 外观性状: 灰白色至淡米色粉末
• 蒸汽压: 0.0±1.1 mmHg at 25°C
• 折射率: 1.626
• 储存条件:

  保持贮藏器密封

  放入紧密的贮藏器内，储存在阴凉，干燥的地方

• 稳定性:

  如果遵照规格使用和储存则不会分解

  避免接触氧化物
• 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：白色或奶油色粉末

  2. 密度（g/mL 25ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：122-124

  5. 沸点（ºC，0.2mmHg）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率（n20/D）：未确定

  8. 闪点（ºC，0.2mmHg）：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（kPa,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（25℃）：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(mg/mL)：水：未确定

MSDS

Name: o-Toluic hydrazide Material Safety Data Sheet Synonym: CAS: 7658-80-2 Section 1 - Chemical Product MSDS Name:o-Toluic hydrazide Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 7658-80-2 o-Toluic hydrazide 231-623-8 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 7658-80-2: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 122 - 124 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C8H10N2O Molecular Weight: 150.18 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 7658-80-2 unlisted. LD50/LC50: Not available. Carcinogenicity: o-Toluic hydrazide - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 7658-80-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 7658-80-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 7658-80-2 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常来说对水是稍微危害的，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S37/39-S26
• 海关编码: 2928000090

合成路线

89-71-4 ~94% 7658-80-2

文献：Macaev, Fliur; Rusu, Ghenadie; Pogrebnoi, Serghei; Gudima, Alexandru; Stingaci, Eugenia; Vlad, Ludmila; Shvets, Nathaly; Kandemirli, Fatma; Dimoglo, Anatholy; Reynolds, Robert Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 16 p. 4842 - 4850

87-24-1 ~% 7658-80-2

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

118-90-1 ~83% 7658-80-2

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

933-88-0 ~% 7658-80-2

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

上下游产品

上游产品  4
89-71-4 87-24-1 118-90-1 933-88-0
下游产品  10
106710-47-8 2503-66-4 118-90-1 89-71-4
619-50-1 62-23-7 101771-59-9 1750-78-3
65697-87-2 65697-89-4

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%