89570-82-1

• 常用中文名：3-氯-5-(三氟甲基)吡啶-基肼
• 常用英文名：3-CHLORO-5-(TRIFLUOROMETHYL)PYRID-2-YLHYDRAZINE
• CAS号：89570-82-1
• 分子式：C₆H₅ClF₃N₃
• 分子量：211.572
• 相关类别： 医药中间体 杂环化合物 吡啶类化合物 吡啶衍生物
• 发布时间：2018-11-30 14:22:20
• 更新时间：2024-01-13 17:36:02

名称

• 中文名: 3-氯-5-(三氟甲基)吡啶-2-基肼
• 英文名: [3-chloro-5-(trifluoromethyl)pyridin-2-yl]hydrazine
• 中文别名: 3-氯-5-(三氟甲基)吡啶-基肼
• 英文别名: (3-chloro-5-trifluoromethyl-pyrid-2-yl)-hydrazine; 3-CHLORO-5-(TRIFLUOROMETHYL)PYRID-2-YLHYDRAZINE; (3-Chloro-5-trifluoromethyl-pyridin-2-yl)-hydrazine; Pyridine,3-chloro-2-hydrazinyl-5-(trifluoromethyl); (3-chloro-5-trifluoromethylpyridin-2-yl)hydrazine; Pyridine, 3-chloro-2-hydrazinyl-5-(trifluoromethyl)-; 3-chloro-2-hydrazinyl-5-(trifluoromethyl)pyridine; 3-chloro-5-trifluoromethyl-2-hydrazinopyridine; 3-Chloro-2-hydrazino-5-(trifluoromethyl)pyridine; 3-chloro-5-(trifluoromethyl)-2-pyridylhydrazine; MFCD00067865; 1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]hydrazine

物化性质

• 密度: 1.6±0.1 g/cm3
• 沸点: 238.7±40.0 °C at 760 mmHg
• 熔点: 90 °C
• 分子式: C₆H₅ClF₃N₃
• 分子量: 211.572
• 闪点: 98.1±27.3 °C
• 精确质量: 211.012405
• PSA: 50.94000
• LogP: 2.26
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.547
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：42.73

  2、 摩尔体积（m³/mol）：134.7

  3、 等张比容(90.2K)：342.6

  4、 表面张力(dyne/cm)：41.8

  5、 极化率(10-24cm³)：16.93

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.9

  2.氢键供体数量:2

  3.氢键受体数量:6

  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50.9

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:175

  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/mL25ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：90

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC7mmHg）：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（kPa,）：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（正辛醇/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

Name: 1-[3-Chloro-5-(trifluoromethyl)-2-pyridyl] hydrazine 95+% Material Safety Data Sheet Synonym: CAS: 89570-82-1 Section 1 - Chemical Product MSDS Name:1-[3-Chloro-5-(trifluoromethyl)-2-pyridyl] hydrazine 95+% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 89570-82-1 1-[3-Chloro-5-(trifluoromethyl)-2-pyri 95+% unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. 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: 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. 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# 89570-82-1: 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: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 90 - 92 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Specific Gravity/Density: Molecular Formula: C6H5ClF3N3 Molecular Weight: 212 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, acids, acid chlorides. Hazardous Decomposition Products: Hydrogen chloride, chlorine, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 89570-82-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-[3-Chloro-5-(trifluoromethyl)-2-pyridyl] hydrazine - 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 Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. 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 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 89570-82-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 89570-82-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 89570-82-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi: Irritant;Xn: Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S20/21-S36/37/39
• 海关编码: 2933990090

合成路线

69045-84-7 ~88% 89570-82-1

文献：Haga, Takahiro; Fujikawa, Kan-ichi; Koyanagi, Tohru; Nakajima, Toshio; Hayashi, Kouji Heterocycles, 1984 , vol. 22, # 1 p. 117 - 124

69045-83-6 ~% 89570-82-1

文献：Heterocycles, , vol. 22, # 1 p. 117 - 124

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%