4-Chlorobenzotrichloride 4-氯三氯甲苯

CAS 5216-25-1 MFCD00000790

化学结构图

5216-25-1
SMILES: Clc1ccc(C(Cl)(Cl)Cl)cc1

化学属性

Mol. FormulaC7H4Cl4
Mol. Weight229.92
Density1.495
Refractive index1.5710 to 1.5750
Boiling Point245 °C at 760 mmHg
Flash Point140°C(lit.)
TSCAYes
Melting Point5.8 °C
Solubility分解
Appearance 1.5720，相对密度 1.495，f.p.>;230℉(110℃)，溶于苯、甲苯等有机溶剂，露置在潮湿的空气中易水解成对氯苯甲酸。 D 纯品为无色透明液体，工业品为淡黄色透明液体，m.p.5.82℃，b.p.245℃(117℃/1.333 kpa)，n 20

别名和识别编码

Chemical Name4-Chlorobenzotrichloride
Synonym 1-Chloro-4-(trichloromethyl)benzene {LY} 1-Chloro-4-(trichloromethyl)benzene {} {LY} 1-Chloro-4-(trichloromethyl)benzene {} {} {LY} 1-Chloro-4-(trichloromethyl)benzene {} {} {} {LY} 1-Chloro-4-(trichloromethyl)benzene {} {} {} {} {LY} 1-Chloro-4-(trichloromethyl)benzene {} {} {} {} {} {LY} 1-Chloro-4-(trichloromethyl)benzene {} {} {} {} {} {} {LY} 1-Chloro-4-(trichloromethyl)benzene {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 1-Chloro-4-(trichloromethyl)benzene {} {} {} {} {} {} {} {} {LY} 1-Chloro-4-(trichloromethyl)benzene {} {} {} {} {} {} {} {} {} {LY} 1-Chloro-4-(trichloromethyl)benzene {} {} {} {} {} {} {} {} {} {} {LY} 1-Chloro-4-(trichloromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Chloro-4-(trichloromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Chloro-4-(trichloromethyl)benzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Chloro-4-(trichloromethyl)benzene {} {} {} {} {} {} {} {} {} {} {}
CAS Number5216-25-1
EC Number226-009-1
Beilstein Registry Number1866549
MDL NumberMFCD00000790
PubChem Substance ID21277
Reaxys-RN1866549
Chemical Name Translation4-氯三氯甲苯
LabNetwork Molecule IDLN00190917
InChIInChI=1S/C7H4Cl4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
Canonical SMILESC1=C(C=CC(=C1)Cl)C(Cl)(Cl)Cl
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分类

  • {SNA} Aryl, Building Blocks, C7, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {Chemicalbook} 农药中间体: 除草剂中间体: 苯氧羧酸类和芳氧基苯氧基羧酸类除草剂

相关文献及参考

  • Short: III/20b Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei Cl ... Rb Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20b Year: 1988 Keyword: NQR ISBN: 3-540-18483-X ISBN: 978-3-540-18483-6 Internet Resource: DOI:10.1007/b86664 RefComment: IX,717 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: III/20c Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei Zr ... Bi. Diagrams, Structure formulas, Indexes Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20c Year: 1989 Keyword: NQR ISBN: 3-540-18490-2 ISBN: 978-3-540-18490-4 Internet Resource: DOI:10.1007/b35374 RefComment: 562 figs., IX,802 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII,

安全信息

Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
Risk Statements
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R45 May cause cancer 可能致癌
  • R48/23
  • R62 Possible risk of impaired fertility 有削弱生殖能力的危险
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312
  • P302+P352
  • P302+P352+P312+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+P313
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302+H312
  • H315 Causes skin irritation 会刺激皮肤
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H350 May cause cancer 可能致癌
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H372 Causes damage to organs through prolonged or repeated exposure 长期或频繁接触会损伤器官
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSXT8580000
Packing GroupIII
UN Number 1760
Storage condition Moisture Sensitive
Hazard Codes 8 T
Hazard Class8 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 820 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - chromodacryorrhea
   Behavioral - tremor
   Gastrointestinal - hypermotility, diarrhea
REFERENCE :
   EPASR* United States Environmental Protection Agency, Office of Pesticides
   and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW,
   Washington, DC 20460)  History unknown.  Volume(issue)/page/year:
   8EHQ-0281-0360

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 125 mg/m3
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - structural or functional change in trachea
   or bronchi
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 28(6),41,1984

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 125 mg/m3
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - structural or functional change in trachea
   or bronchi
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 28(6),41,1984

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其他信息

  • 图谱信息:4-氯三氯甲苯(5216-25-1)红外图谱(IR1) 4-氯三氯甲苯(5216-25-1)Raman光谱 4-氯三氯甲苯(5216-25-1)红外图谱(IR2) 4-氯三氯甲苯(5216-25-1)核磁图( 13 CNMR) 4-氯三氯甲苯(5216-25-1)核磁图( 1 HNMR) 4-氯三氯甲苯(5216-25-1)质谱(MS)
  • MOL 文件:5216-25-1.mol
  • 4-氯三氯甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0072 4-氯三氯甲苯 4-Chlorobenzotrichloride 500G 658元 2014/06/02 T0072 4-氯三氯甲苯 4-Chlorobenzotrichloride 25G 121元 2010/06/21 108710050 4-氯三氯甲苯 4-Chlorobenzotrichloride 99% 5 GR 315元
  • 4-氯三氯甲苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 T0072 4-氯三氯甲苯 4-Chlorobenzotrichloride 500G 684元 2011/04/16 T0072 4-氯三氯甲苯 4-Chlorobenzotrichloride 25G 117元 2010/06/21 108710050 4-氯三氯甲苯 4-Chlorobenzotrichloride 99% 5 GR 315元
  • Acros Organics:4-Chlorobenzotrichloride, 99%(5216-25-1)
  • 用途一:用作医药中间体
  • TCI Shanghai:4-氯代三氯甲苯 4-Chlorobenzotrichloride,>;98.0%(GC)(5216-25-1)
  • 用途二:对氯三氯甲苯是除草剂氟乐灵、乙氧氟草醚、三氟羧草醚、氟磺胺草醚、乙羧氟草醚、乳氟禾草灵等的中间体。
  • 下游产品:氟磺胺草醚 --> 对氯三氟甲苯 --> 4-氯-3-硝基苯甲酸
  • 上游原料:对氯甲苯
  • MSDS 信息:4-Chlorobenzotrichloride(5216-25-1).msds
  • Alfa Aesar:4-氯三氯甲苯,98+% 4-Chlorobenzotrichloride, 98+%(5216-25-1)
  • 方法一:其制备方法是将对氯甲苯加入光氯化反应器，打开冷凝器的冷冻盐水或冷却水，升温并开紫外灯，通入氯气开始氯化反应，控制一定的反应温度，反应到达终点时停止通氯气，脱除氯化物料中的氯气和氯化氢，在减压下蒸馏得成品。
  • Sigma Aldrich:5216-25-1(sigmaaldrich)
  • 敏感性:Moisture Sensitive

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Halogenated Hydrocarbons 卤代烃
  5. Aryl 芳基卤代烃
  6. C7 - Aryl

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