41870-52-4

• 常用中文名：2-甲基二苯甲基氯化物
• 常用英文名：1-[chloro(phenyl)methyl]-2-methylbenzene
• CAS号：41870-52-4
• 分子式：C₁₄H₁₃Cl
• 分子量：216.70600
• 发布时间：2018-06-21 21:29:26
• 更新时间：2025-08-28 21:07:48

名称

• 中文名: 2-甲基二苯甲基氯化物
• 英文名: 2-Methylbenzhydryl Chloride
• 中文别名: 2-(α-氯化苄基)甲苯; 2-甲基二苯基氯化物; 1-(氯(苯基)甲基)-2-甲苯
• 英文别名: Chloro(2-methylphenyl)phenylmethane; 1-(Chloro(phenyl)methyl)-2-methylbenzene; MFCD00972765; 1-[chloro(phenyl)methyl]-2-methylbenzene; 2-(α-Chlorobenzyl)toluene; EINECS 431-450-1

物化性质

• 密度: 1.098g/cm3
• 沸点: 313.9ºC at 760mmHg
• 熔点: 76-78 °C(lit.)
• 分子式: C₁₄H₁₃Cl
• 分子量: 216.70600
• 闪点: 138.6ºC
• 精确质量: 216.07100
• LogP: 4.32320
• 折射率: 1.576
• 储存条件: 2~8°C，密封
• 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:2

  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:15

  8.表面电荷:0

  9.复杂度:184

  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:1

  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

MSDS

Revision number: 5 2-Methylbenzhydryl Chloride SAFETY DATA SHEET Section1. IDENTIFICATION 2-Methylbenzhydryl Chloride Product name: 5 Revision number: Section2. HAZARDS IDENTIFICATION GHS classification Not classified PHYSICAL HAZARDS HEALTH HAZARDS Category 2 Skin corrosion/irritation ENVIRONMENTAL HAZARDS Category 1 Acute aquatic hazard Category 1 Long-term aquatic hazard GHS label elements, including precautionary statements Pictograms or hazard symbols Warning Signal word Causes skin irritation Hazard statements Very toxic to aquatic life Very toxic to aquatic life with long lasting effects Precautionary statements: Avoid release to the environment. [Prevention] Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. IF ON SKIN: Gently wash with plenty of soap and water. [Response] If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse. Collect spillage. Dispose of contents/container through a waste management company authorized by [Disposal] the local government. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance Substance/mixture: 2-Methylbenzhydryl Chloride Components: >98.0%(GC)(T) Percent: 41870-52-4 CAS Number: 2-(α-Chlorobenzyl)toluene , Chloro(2-methylphenyl)phenylmethane Synonyms: C14H13Cl Chemical Formula: 2-Methylbenzhydryl Chloride Section4. FIRST AID MEASURES Remove victim to fresh air and keep at rest in a position comfortable for breathing. Inhalation: Get medical advice/attention if you feel unwell. Remove/Take off immediately all contaminated clothing. Gently wash with plenty of Skin contact: soap and water. If skin irritation or rash occurs: Get medical advice/attention. Rinse cautiously with water for several minutes. Remove contact lenses, if present Eye contact: and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Get medical advice/attention if you feel unwell. Rinse mouth. Ingestion: A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Dry chemical, foam, water spray, carbon dioxide. Suitable extinguishing media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. from the chemical: Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. When extinguishing fire, be sure to wear personal protective equipment. Special protective equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Be careful not to let it flow into rivers, etc., since adverse effects on the environment are concerned. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Keep container tightly closed. Store in a refrigerator. Storage conditions: Store away from incompatible materials such as oxidizing agents. Heat-sensitive Comply with laws. Packaging material: Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Install a closed system or local exhaust as possible so that workers should not be Engineering controls: exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Protective gloves. Hand protection: Safety glasses. A face-shield, if the situation requires. Eye protection: Skin and body protection: Protective clothing. Protective boots, if the situation requires. 2-Methylbenzhydryl Chloride Section9. PHYSICAL AND CHEMICAL PROPERTIES Solid Physical state (20°C): Crystal- Lump Form: White - Slightly pale yellow Colour: No data available Odour: pH: No data available Melting point/freezing point:40°C 136°C/0.1kPa Boiling point/range: No data available Flash point: Flammability or explosive limits: No data available Lower: No data available Upper: No data available Relative density: Solubility(ies): No data available [Water] [Other solvents] Methanol Soluble: Section10. STABILITY AND REACTIVITY Stable under proper conditions. Chemical stability: Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen chloride products: Section11. TOXICOLOGICAL INFORMATION No data available Acute Toxicity: Skin corrosion/irritation: No data available No data available Serious eye damage/irritation: No data available Germ cell mutagenicity: Carcinogenicity: No data available IARC = No data available NTP = No data available Reproductive toxicity: Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: No data available Crustacea: No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobility in soil No data available Log Pow: No data available Soil adsorption (Koc): No data available Henry's Law constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. 2-Methylbenzhydryl Chloride Section14. TRANSPORT INFORMATION 9: Miscellaneous dangerous goods. Hazards Class: 3077 UN-No: Environmentally hazardous substance, solid, n.o.s. Proper shipping name: III Packing group: Y Marine pollutant Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38:Irritating to eyes, respiratory system and skin .
• 安全声明 (欧洲): S26-S36
• WGK德国: 3
• 海关编码: 2903999090

合成路线

5472-13-9 ~% 41870-52-4

文献：Baumgarten, Henry E.; Chiang, Nein-Chu Robert; Elia, Victor J.; Beum, Paul V. Journal of Organic Chemistry, 1985 , vol. 50, # 26 p. 5507 - 5512

131-58-8 ~% 41870-52-4

文献：Kline, Richard H.; Izenwasser, Sari; Katz, Jonathan L.; Joseph, David B.; Bowen, Wayne D.; Newman, Amy Hauck Journal of Medicinal Chemistry, 1997 , vol. 40, # 6 p. 851 - 857

932-31-0 ~% 41870-52-4

文献：Baumgarten, Henry E.; Chiang, Nein-Chu Robert; Elia, Victor J.; Beum, Paul V. Journal of Organic Chemistry, 1985 , vol. 50, # 26 p. 5507 - 5512

100-52-7 ~% 41870-52-4

文献：Baumgarten, Henry E.; Chiang, Nein-Chu Robert; Elia, Victor J.; Beum, Paul V. Journal of Organic Chemistry, 1985 , vol. 50, # 26 p. 5507 - 5512

529-20-4 ~% 41870-52-4

文献：Chern, Jyh-Haur; Shia, Kak-Shan; Hsu, Tsu-An; Tai, Chia-Liang; Lee, Chung-Chi; Lee, Yen-Chun; Chang, Chih-Shiang; Tseng, Sung-Nien; Shih, Shin-Ru Bioorganic and Medicinal Chemistry Letters, 2004 , vol. 14, # 10 p. 2519 - 2525

7647-01-0 5472-13-9 ~% 41870-52-4 7732-18-5

文献：Halford; Reid Journal of the American Chemical Society, 1941 , vol. 63, p. 1873,1876

上下游产品

上游产品  6
5472-13-9 131-58-8 932-31-0 100-52-7
529-20-4 7647-01-0
下游产品  2
83-98-7 5350-55-0

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%