Benzotrichloride 三氯化苄

CAS 98-07-7 MFCD00000786

化学结构图

98-07-7
SMILES: ClC(Cl)(Cl)c1ccccc1

化学属性

Mol. FormulaC7H5Cl3
Mol. Weight195.47
Refractive index1.5570 to 1.5590
Autoignition Point411 °F
Vapor Density6.77 (vs air)
Boiling Point221°C(lit.)
Vapor Pressure0.2 mmHg ( 20 °C)
Density1.38
Melting Point-8 - -7
Flash Point103°C(lit.)
TSCAYes
Solubility水解
Stability对光、湿度和空气敏感

别名和识别编码

Chemical Nameα,α,α-Trichlorotoluene
MDL NumberMFCD00000786
CAS Number98-07-7
Synonym Benzylidyne chloride 苄基三氯 benzenyltrichloride ( omega,omega,omega-Trichlorotoluene BENZYLTRICHLORIDE α Benzen trichloromethyl-benzene (trichloromethyl)-benzen Benzene,(trichloromethyl)- ω,ω,ω-三氯甲苯 (Trichlormethyl)-benzol Toluene trichloride (trichlormethyl)benzene Trichlormethylbenzol RCRA waste number U023 benzenylchloride 三氯甲苯 1-(trichloromethyl) (trichloromethyl)benzene benzotrichloride Phenyltrichloromethane {uni_hamburg Benzenyl trichloride ω,ω, ω-Trichlorotoluene alpha,alpha,alpha-Trichlorotoluene α,α,α-trichlorotoluene Chlorure de benzenyle {Che
Beilstein Registry Number5,300
PubChem Substance ID87576355
EC Number202-634-5
Merck Number1109
Chemical Name Translation三氯化苄
Reaxys-RN508152
Wiswesser Line NotationGXGGR
LabNetwork Molecule IDLN00221982
InChIInChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
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分类

  • {SA} Aryl, Building Blocks, C7, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks
  • {SNA} Aryl, Building Blocks, C7, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Alpha Sort, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Aromatics, Chemical Class, Chloro, Chromatography, Environmental Standards, Halogenated, T, T-Z, TP - TZ, Volatiles

产品应用

  • 有机合成中间体。制造苯甲酸；氯化苯甲酰；三苯基甲烷染料；蒽醌染料和喹啉染料等。以及用于生产紫外线吸收剂。还用作分析化学试剂。

相关文献及参考

  • Merck: 14,1109
  • {
  • Short: III/20b
  • Short: II/5
  • Merck: 14,1109 Beilstein:5,300
  • Short: II/2

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H331 Toxic if inhaled 吸入中毒
  • H302 Harmful if swallowed 吞食有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H350 May cause cancer 可能致癌
  • H318 Causes serious eye damage 严重伤害眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSXT9275000
Precautionary statements
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P332+P313
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P302+P350
  • P337+P313
  • P308+P313
  • P302+P352+P332+P313+P362+P364
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P305+P351+P338
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P304+P340+P310
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P305+P351+P338+P337+P313
  • P301+P310+P331+P330
  • P405 Store locked up. 上锁保管。
  • P403+P233
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
Signal word
Packing GroupII
UN Number UN 2226 8/PG 2 UN2226 2226
Risk Statements
  • 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
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R22 Harmful if swallowed 吞咽有害
  • R23 Toxic by inhalation 吸入有毒
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；
Storage condition Moisture Sensitive
Hazard Codes T
Hazard Class8 
TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1620 ppb/30M/22W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Skin and Appendages - tumors
REFERENCE :
   SAIGBL Sangyo Igaku.  Japanese Journal of Industrial Health.  (Nippon Sangyo
   Eisei Igakkai, Kosu Eisei Bldg., 1-29-8, Shinjuku, Shinjuku-ku, Tokyo 160,
   Japan)  V.1-    1959-  Volume(issue)/page/year: 28,352,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 9200 mg/kg/50W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Skin and Appe

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 16320 mg/kg/31W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Skin and Appendages - tumors
REFERENCE :
   GANNA2 Gann.  Japanese Journal of Cancer Research.  (Tokyo, Japan)  V.1-75,
   1907-84.  For publisher information, see JJCREP.  Volume(issue)/page/year:
   72,655,1981

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1380 mg/kg/25W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Gastrointestinal - tumors
REFERENCE :
   INHEAO Industrial Health.  (National Institute of Industrial Health, 6-21-1
   Nagao, Tama-ku, Kawasaki, 213 Japan)  V.1-    1963- Volume(issue)/page/year:
   31,127,1993

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 4 gm/kg
TOXIC EFFECTS :
   Behavioral - excitement
   Liver - other changes
   Skin and Appendages - dermatitis, other (after systemic exposure)
REFERENCE :
   TSCAT* Office of Toxic Substances Report.  (U.S. Environmental Protection
   Agency, Office of Toxic Substances, 401 M St., SW, Washington, DC 20460)
   Volume(issue)/page/year: FYI-OTS-1180-0107

TYPE OF TEST            : LC50 - Lethal concen

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 19 ppm/2H
TOXIC EFFECTS :
   Behavioral - muscle contraction or spasticity
   Lungs, Thorax, or Respiration - respiratory depression
   Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
   IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals
   to Man.  (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210)
   V.1-    1972-  Volume(issue)/page/year: 29,73,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 1300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects no

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 60 mg/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 2600 nmol/disc
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 58,143,1978

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 ug/plate
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   11(Suppl 12),1,1988

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Human Cells - not otherwise specified
DOSE/DURATION           : 100 ug/L
REFERENCE :
   PAACA3 Proceedings of the American Association for Cancer Research. (Waverly
   Press, 428 E. Preston St., Baltimore, MD 21202)  V.1-    1954-
   Volume(issue)/page/year: 27,94,1986

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 500 nmol/plate/20M
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 58,143,1978

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Inhalation
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 1 ppm/6H/4W (Intermittent)
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 164,272,1986

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 500 nmol/plate/20M
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE

Warnings 危险化学品

其他信息

  • 具特异的刺激臭。不溶于水，溶于乙醇；乙醚和苯。有强折光性。性质不稳定，在空气中发烟，见光（或在空气中）分解。潮湿时分解。与水或碱液即生成苯甲酸。
  • 急性毒性:口服-大鼠 LD50: 1300 毫克/公斤; 口服-小鼠 LD50: 702 毫克/公斤
  • 刺激数据:皮肤-兔子 10 毫克/24小时 重度; 眼睛-兔子 0.05 毫克/24小时 重度
  • 灭火剂:砂土、干粉、二氧化碳
  • Alfa Aesar:三氯甲苯,98% Benzotrichloride, 98%(98-07-7)
  • 三氯化苄价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80015728 三氯甲苯 500ml 112.2元 2011/04/16 T0399 三氯甲苯 Benzotrichloride 500G 284元 2011/04/16 T0399 三氯甲苯 Benzotrichloride 25G 95元
  • MSDS 信息:α,α,α-三氯甲苯(98-07-7).msds
  • TCI Shanghai:三氯甲苯 Benzotrichloride,>;99.0%(GC)(98-07-7)
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • 方法一:由甲苯氯化制得。在甲苯中加催化剂三氯化磷，加热至沸，在良好的光照下通氯反应15-20h，当液体的沸点达到215℃时停止通氯。减压蒸馏，收集97-98℃（1.6kPa）的馏分，即为成品，产率90%。
  • 用途三:有机合成中间体。制造苯甲酸；氯化苯甲酰；三苯基甲烷染料；蒽醌染料和喹啉染料等。以及用于生产紫外线吸收剂。
  • 蒸气密度:6.77 (vs air)
  • 防护措施:本品有毒，对皮肤有刺激作用，但挥发度小，具有麻醉性，对人能引起急性或慢性的精神障碍。1,2,4-三氯苯大鼠经口LD50为756mg/kg。防治方法可参照“氯苯”。操作人员应穿戴防护用具。
  • 爆炸物危险特性:与空气混合可爆; 对皮肤,眼睛和黏膜有腐蚀作用
  • 用途一:用作染料、医药中间体及紫外线吸收剂UV-9、UV-531的基本原料
  • 蒸气压:0.2 mm Hg ( 20 °C)
  • 图谱信息:三氯化苄(98-07-7)核磁图( 1 HNMR) 三氯化苄(98-07-7)质谱(MS) 三氯化苄(98-07-7)核磁图( 13 CNMR) 三氯化苄(98-07-7)红外图谱(IR2) 三氯化苄(98-07-7)红外图谱(IR1) 三氯化苄(98-07-7)Raman光谱
  • MOL 文件:98-07-7.mol
  • 毒性分级:中毒
  • 类别:腐蚀物品
  • 下游产品:苯甲酰氯 --> 苯甲酸 --> 4-氟苯胺 --> 三氟甲苯 --> 对三氟甲基苯胺 --> 甲羧除草醚 --> 胆红素 --> 间硝基三氟甲苯 --> 3,4-二氯三氟甲苯 --> 氟乐灵 --> 还原黄 2 --> 对苯二甲酰氯 --> 2,4-二羟二苯甲酮 --> 3-苄基-3,二氢-6-(三氟甲基)-2H-1,2,4-苯并噻二嗪-7-氨基磺酰-1,1-二氧化物 --> 2,4-二氯亚苄基二氯 --> 间三氟甲基三氯甲苯 --> 4-氨基-6-(三氟甲基)苯-1,3-二磺酰胺
  • 可燃性危险特性:可燃; 遇水分解有毒氯化氢气体
  • 上游原料:甲苯 --> 氯
  • Acros Organics:alpha,alpha,alpha-三氯甲苯 alpha,alpha,alpha-Trichlorotoluene, 98%(98-07-7)
  • 常规方法:用铁桶包装，贮存于阴凉通风处。按有毒危险品规定运输。
  • 职业标准:STEL 0.2 毫克/立方米
  • 外观性质:无色至淡黄透明液体，有特殊臭味。
  • 用途二:有机合成中间体。制造苯甲酸、氯化苯甲酰、三苯基甲烷染料、蒽醌染料和喹啉染料等。

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
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. T - Alphabetic
  5. TP - TZ - T
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Chloro - Halogenated
  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 芳香卤代烃
  6. C6

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