96980-64-2

• 常用中文名：N1-(3-氯-4-氟苯基)-2-氯乙胺
• 常用英文名：3-chloro-n-(chloroacetyl)-4-fluoroaniline
• CAS号：96980-64-2
• 分子式：C₈H₆Cl₂FNO
• 分子量：222.04400
• 发布时间：2018-06-17 18:55:41
• 更新时间：2024-01-02 13:38:18

名称

• 中文名: 2,3-二氯-4-氟代-N-乙酰苯胺
• 英文名: 2-chloro-N-(3-chloro-4-fluorophenyl)acetamide
• 中文别名: 2,3'-二氯-4-氟代-N-乙酰苯胺; 新戊烷; N1-(3-氯-4-氟苯基)-2-氯乙胺; 3-氯-N-氯乙酰基-4-氟苯胺
• 英文别名: 2,3'-Dichloro-4'-fluoroacetanilide; F9995-0364; MFCD00084938

物化性质

• 密度: 1.479g/cm3
• 沸点: 363.2ºC at 760mmHg
• 熔点: 96 °C
• 分子式: C₈H₆Cl₂FNO
• 分子量: 222.04400
• 闪点: 173.5ºC
• 精确质量: 220.98100
• PSA: 29.10000
• LogP: 2.72940
• 折射率: 1.584
• 储存条件: 室温，惰性气体保存
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:2

  5.互变异构体数量:3

  6.拓扑分子极性表面积29.1

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:191

  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,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，0.5mmHg）：未确定

  7. 折射率(n20/D)：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（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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

Name: N1-(3-chloro-4-fluorophenyl)-2-chloroacetamide 97% Material Safety Data Sheet Synonym: 3-Chloro-N-chloroacetyl-4-fluoroanilin CAS: 96980-64-2 Section 1 - Chemical Product MSDS Name:N1-(3-chloro-4-fluorophenyl)-2-chloroacetamide 97% Material Safety Data Sheet Synonym:3-Chloro-N-chloroacetyl-4-fluoroanilin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 96980-64-2 N1-(3-Chloro-4-fluorophenyl)-2-chloroa 97% 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: 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. 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# 96980-64-2: 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: cream Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 98 - 101 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: C8H6Cl2FNO Molecular Weight: 222 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, reducing agents, bases, amines. Hazardous Decomposition Products: Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 96980-64-2 unlisted. LD50/LC50: Not available. Carcinogenicity: N1-(3-Chloro-4-fluorophenyl)-2-chloroacetamide - 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: 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# 96980-64-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 96980-64-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 96980-64-2 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;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2924299090

合成路线

367-21-5 79-04-9 ~99% 96980-64-2

文献：Ma, Liang; Li, Shilin; Zheng, Hao; Chen, Jinying; Lin, Lin; Ye, Xia; Chen, Zhizhi; Xu, Qinyuan; Chen, Tao; Yang, Jincheng; Qiu, Neng; Wang, Guangcheng; Peng, Aihua; Ding, Yi; Wei, Yuquan; Chen, Lijuan European Journal of Medicinal Chemistry, 2011 , vol. 46, # 6 p. 2003 - 2010

上下游产品

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海关

海关编码	2924299090
中文概述	2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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:30.0%
申报要素	品名, 成分含量, 用途, 包装
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%