80676-35-3

• 常用中文名：4-(氯甲基)二苯甲基
• 常用英文名：1-(chloromethyl)-4-(2-phenylethyl)benzene
• CAS号：80676-35-3
• 分子式：C₁₅H₁₅Cl
• 分子量：230.73300
• 发布时间：2018-07-21 13:17:11
• 更新时间：2025-08-22 23:53:06

名称

• 中文名: 4-(氯甲基)二苯甲基
• 英文名: 1-(chloromethyl)-4-(2-phenylethyl)benzene
• 中文别名: 4-氯甲基联苄; 4-(氯甲基)-1,2-二苯乙烷
• 英文别名: 1-(chloromethyl)-4-phenethylbenzene; 4-(chloromethyl)dibenzyl; 4-chloromethyl-bibenzyl; Bibenzyl,4-(chloromethyl)-(6CI,7CI); 4-phenethylbenzyl chloride; 1-[chloromethyl]-4-(2-phenylethyl)benzene; 4-(chloromethyl)-1,2-diphenylethane; 4-Chlormethyl-bibenzyl

物化性质

• 密度: 1.095g/cm3
• 沸点: 145ºC (3 torr)
• 熔点: 39-43ºC
• 分子式: C₁₅H₁₅Cl
• 分子量: 230.73300
• 闪点: 144.1ºC
• 精确质量: 230.08600
• LogP: 4.21060
• 折射率: 1.579
• 储存条件:

  密闭，阴凉，干燥处

• 稳定性:

  按规定使用和贮存的不会分解，避氧化物

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:0

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:176

  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：粉末

  2. 密度（g/mL25 ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：37-38

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC12mmHg）：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（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Name: 1-(4-Chloromethylphenyl)-2-phenylethane 98% Material Safety Data Sheet Synonym: 4-Chloromethylbibenzyl1-(Chloromethyl)-4-(2-phenylethyl)benzen CAS: 80676-35-3 Section 1 - Chemical Product MSDS Name:1-(4-Chloromethylphenyl)-2-phenylethane 98% Material Safety Data Sheet Synonym:4-Chloromethylbibenzyl1-(Chloromethyl)-4-(2-phenylethyl)benzen Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 80676-35-3 1-(4-Chloromethylphenyl)-2-phenylethan 98% unlisted 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: 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: 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. 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# 80676-35-3: 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: Liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 145 deg C @ 3 mmHg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 110 deg C (> 230.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C15H15Cl Molecular Weight: 230.74 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 80676-35-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-(4-Chloromethylphenyl)-2-phenylethane - 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# 80676-35-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 80676-35-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 80676-35-3 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): S26-S37/39
• 危险品运输编码: UN 2811
• 包装等级: III
• 海关编码: 2903999090

合成路线

34224-29-8 ~63% 80676-35-3

文献：Carrara, Maria; Zampiron, Stefano; Pittarello, Demetrio; Cima, Lorenzo; Rampa, Angela; Valenti, Piero; Da Re, Paolo; Giusti, Pietro Arzneimittel-Forschung/Drug Research, 1997 , vol. 47, # 7 p. 803 - 809

14518-67-3 ~% 80676-35-3

文献：Arzneimittel-Forschung/Drug Research, , vol. 47, # 7 p. 803 - 809

101093-37-2 ~% 80676-35-3

文献：Farmaco, Edizione Scientifica, , vol. 11, p. 378,382

32555-96-7 ~% 80676-35-3

文献：Farmaco, Edizione Scientifica, , vol. 11, p. 378,382

50-00-0 103-29-7 ~% 80676-35-3

文献：Farmaco, Edizione Scientifica, , vol. 18, p. 582 - 594

上下游产品

上游产品  5
34224-29-8 101093-37-2 32555-96-7 50-00-0
103-29-7
下游产品  1
1212-50-6

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%