3312-04-7

• 常用中文名：4,4,-二(4-氟苯)氯丁烷
• 常用英文名：1,1'-(4-chlorobutylidene)bis[4-fluorobenzene]
• CAS号：3312-04-7
• 分子式：C₁₆H₁₅ClF₂
• 分子量：280.74000
• 发布时间：2018-04-25 08:00:00
• 更新时间：2024-01-02 19:13:10

名称

• 中文名: 4,4,-二(4-氟苯)氯丁烷
• 英文名: 1-[4-chloro-1-(4-fluorophenyl)butyl]-4-fluorobenzene
• 英文别名: 1,1-bis(p-fluorophenyl)-4-chlorobutane; 4,4-bis(4-fluoro-phenyl)-1-chloro-butane; 4-chloro-1,1-bis(4-fluorophenyl)butane; 1,1-bis (4-fluorophenyl)-4-chlorobutane; EINECS 221-998-6; 4-chloro-1,1-bis-(p-fluorophenyl)-butane; MFCD00044723; 4,4-bis-(p-fluorophenyl)-butyl chloride; 1,1'-(4-Chlorobutylidene)bis(4-fluorobenzene); 1-chloro-4,4-bis(p-fluorophenyl)butane

物化性质

• 密度: 1.175g/cm3
• 沸点: 365.2ºC at 760mmHg
• 分子式: C₁₆H₁₅ClF₂
• 分子量: 280.74000
• 闪点: 205.3ºC
• 精确质量: 280.08300
• LogP: 5.11570
• 折射率: 1.541-1.545
• 分子结构:

  1、摩尔折射率：74.3

  2、摩尔体积（cm³/mol）：238.9

  3、等张比容（90.2K）：589

  4、表面张力（dyne/cm）：36.9

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：29.45

  7、单一同位素质量：280.083035Da

  8、标称质量：280Da

  9、平均质量：280.7401Da

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：5.1

  2、 氢键供体数量：0

  3、 氢键受体数量：2

  4、 可旋转化学键数量：5

  5、 互变异构体数量：

  6、 拓扑分子极性表面积（TPSA）：0

  7、 重原子数量：19

  8、 表面电荷：0

  9、 复杂度：221

  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：黄色或棕色有特殊气味的液体

  2. 密度（g/mL,25℃）：1.2

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,0.1mmHg）：128

  7. 折射率(n20/D)：1.541-1.545

  8. 闪点（ºC）：187

  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（mPa,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：溶于水

MSDS

Name: 1 1 -(4-Chlorobutylidene)bis-(4-fluorobenzene) tech. 90+% Material Safety Data Sheet Synonym: None CAS: 3312-04-7 Section 1 - Chemical Product MSDS Name:1 1 -(4-Chlorobutylidene)bis-(4-fluorobenzene) tech. 90+% Material Safety Data Sheet Synonym:None Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 3312-04-7 1,1'-(4-Chlorobutylidene)bis(4-fluorob 90 221-998-6 Hazard Symbols: XN Risk Phrases: 22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. Chronic: No information found. 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 immediately. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or appropriate foam. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 3312-04-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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: Liquid Color: yellow to brown Odor: None reported. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 128 deg C Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 187 deg C ( 368.60 deg F) Explosion Limits, lower: N/A Explosion Limits, upper: N/A Decomposition Temperature: Solubility in water: 2 mg/l (20 c) Specific Gravity/Density: 1.2000g/cm3 Molecular Formula: C16H15ClF2 Molecular Weight: 280.73 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 3312-04-7 unlisted. LD50/LC50: Not available. Oral, Rat: LD50 = 640 Carcinogenicity: 1,1'-(4-Chlorobutylidene)bis(4-fluorobenzene) - 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: XN Risk Phrases: R 22 Harmful if swallowed. Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 28A After contact with skin, wash immediately with plenty of water. S 28B After contact with skin, wash immediately with plenty of water and soap. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 37 Wear suitable gloves. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 3312-04-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 3312-04-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 3312-04-7 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): Xn: Harmful;
• 风险声明 (欧洲): 22
• 海关编码: 2903999090

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海关

海关编码	2903999090
中文概述	2903999090 其他芳烃卤化衍生物. 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
Summary	2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%