40877-09-6

• 常用中文名：4,4'-二氯苯丁酮
• 常用英文名：4-Chloro-1-(4-chlorophenyl)-1-butanone
• CAS号：40877-09-6
• 分子式：C₁₀H₁₀Cl₂O
• 分子量：217.092
• 发布时间：2018-08-12 12:04:30
• 更新时间：2024-01-21 22:29:00

名称

• 中文名: 4,4'-二氯苯丁酮
• 英文名: 4,4-Dichlorobutyrophenone
• 中文别名: 4,4’-二氯苯丁酮
• 英文别名: MFCD00018993; 1-Butanone, 4-chloro-1-(4-chlorophenyl)-; 4,4'-DICHLOROBUTYROPHENONE; EINECS 255-123-4; 4-Chloro-1-(4-chlorophenyl)-1-butanone; 4-chloro-1-(4-chlorophenyl)butan-1-one; 4,4′-Dichlorobutyrophenone

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 333.8±22.0 °C at 760 mmHg
• 熔点: 29-30 °C
• 分子式: C₁₀H₁₀Cl₂O
• 分子量: 217.092
• 闪点: 140.7±22.9 °C
• 精确质量: 216.010864
• PSA: 17.07000
• LogP: 3.32
• 外观性状: 透明黄色至棕色液体在熔点后
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.536
• 储存条件:

  密封、阴凉、干燥保存

• 稳定性:

  常规情况下不会分解，没有危险反应

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.1

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:4

  5.互变异构体数量:2

  6.拓扑分子极性表面积17.1

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:162

  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：固体

  2. 密度（g/mL,20ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：29-30

  5. 沸点（ºC）：未确定

  6. 沸点（ºC，3mm hg）：未确定

  7. 折射率：1.5600

  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,25ºC）：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：不能溶解的

MSDS

Name: 4 4 -Dichlorobutyrophenone 97% Material Safety Data Sheet Synonym: 4-Chloro-1-(4-chlorophenyl)-1-butanon CAS: 40877-09-6 Section 1 - Chemical Product MSDS Name:4 4 -Dichlorobutyrophenone 97% Material Safety Data Sheet Synonym:4-Chloro-1-(4-chlorophenyl)-1-butanon Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 40877-09-6 4,4'-Dichlorobutyrophenone, 97% 97% 255-123-4 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: The toxicological properties of this substance have not been fully investigated. Inhalation: May cause 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: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. Ingestion: Get medical aid. Wash mouth out with water. Inhalation: Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear. 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 foam, dry chemical, or carbon dioxide. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood. 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. Exposure Limits CAS# 40877-09-6: Personal Protective Equipment Eyes: Wear chemical splash goggles. Skin: Wear appropriate gloves to prevent skin exposure. Clothing: Wear a chemical apron. 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: Liquid Color: after melting, yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 29 - 30 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: C10H10Cl2O Molecular Weight: 217.09 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: Hydrogen chloride, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 40877-09-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 4,4'-Dichlorobutyrophenone, 97% - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 40877-09-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 40877-09-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 40877-09-6 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: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境

安全

• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S24/25
• 海关编码: 2914700090

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海关

海关编码	2914700090
中文概述	2914700090 其他酮及醌的卤化、磺化衍生物（包括硝化和亚硝化衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 丙酮报明包装
Summary	HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%