Benzal Chloride α,α-二氯甲苯

CAS 98-87-3 MFCD00000829

化学结构图

98-87-3
SMILES: ClC(Cl)c1ccccc1

化学属性

Mol. FormulaC7H6Cl2
Mol. Weight161.03
Refractive index1.5500 to 1.5520
Boiling Point207°C(lit.)
Vapor Pressure0.3 mmHg ( 20 °C)
Density1.254 g/mL at 25 °C(lit.)
Melting Point-17--15 °C(lit.)
Flash Point93°C(lit.)
TSCAYes
Solubility不溶于水，溶于乙醇、乙醚。

别名和识别编码

Chemical NameBenzal Chloride
Synonym 二氯化苄 alpha,alpha-dichlortoluene Benzalchloride ,-Dichlorotoluene (Dichlormethyl)benzol {Chemical Toluene, α,α-dichloro- alpha,alpha-dichloro-toluen 苄基二氯 ALPHA,ALPHA-二氯甲苯(二氯甲苯) 苯亚甲基 氯化物 Chlorure de benzylidene {uni_ha Toluene, alpha,alpha-dichloro- Benzy benzal Toluene, α, α-dichloro- ALPHA,ALPHA-DICHLOROTOLUENE α,α-dichlorotoluene Benzylidendichlorid 亚苄基二氯 {uni_hamburg Benzene, (dichloromethyl)- 氯化亞苄基 α，α-二氯甲(基)苯 苄叉二氯 (dichloromethyl)-benzen {uni benzalchloride5005 (DICHLOROMETHYL)BENZENE alpha,alpha α,α-Dichlortoluol Benzylidene chloride Benzylene chloride Alpha,a-dichlorotoluene {uni_ (dichloromethyl)-benzene 氯化亚苄基 RCRA waste number U017 Chlorobenzal a,a-Dichlorotol 二氯苄 Benzyl dichloride A,A-DICHLOROTOLUENE alpha,alpha-Dichlorotoluene Benzylidenchlorid Toluene, a,a-dichloro- dichloromethyl-benzene BENZYLIDENE CHLORIDE ALPHA,ALPHA'-DICHLOROTOLUENE benzylidine chloride 氯化亚苄 苯亚甲基,亚苄基 benzylidene chloride, benzal chloride alpha,alpha-Dic A,A-Dichlortoluol Benaylbichloride {Chemicalbo Benzal chloride a,a-dichlorotoluene (二氯甲基) 二氯甲(基)苯 Α,Α-二氯甲苯 Alpha,α-dichlorotoluene (Dichloromethyl)benzene
PubChem Substance ID87564334
EC Number202-709-2
Beilstein Registry Number5(4)817
MDL NumberMFCD00000829
CAS Number98-87-3
Merck Number1057
Chemical Name Translationα,α-二氯甲苯
Wiswesser Line NotationGYGR
LabNetwork Molecule IDLN01740487
Reaxys-RN1099407
InChIInChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H
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分类

  • {SNA} Analytical Standards, D, Food and Cosmetic Component Standards, Organic Pollutant Standards, Standards for Personal Care and Cosmetic Products, Volatile & Semivolatile Standards, neats, prohibited substances (EU-REGULATION No 1223/2009), 分析/色谱
  • {SNA} Aryl, Building Blocks, C7, Chemical Synthesis, Halogenated Hydrocarbons, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/31a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cu Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/31a Year: 1993 Keyword: NQR ISBN: 3-540-55146-8 ISBN: 978-3-540-55146-1 Internet Resource: DOI:10.1007/b43999 RefComment: VIII, 437 pages. Hardcover Abstract: Volume III/31 continues the compilation of nuclear quadrupole resonance spectroscopy data of solid substances which started in with volume III/20 in 1987 covering the literature from the

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H318 Causes serious eye damage 严重伤害眼睛
  • H331 Toxic if inhaled 吸入中毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H351 Suspected of causing cancer 怀疑致癌
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSCZ5075000
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • 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。
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • 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。
  • 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。
  • 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。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P302+P352+P332+P313+P362+P364
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+P313
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Packing GroupII
UN Number 1886 UN1886
Risk Statements
  • R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
  • R41 Risk of serious damage to eyes 有严重损伤眼睛的危险
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • 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）；
  • S38 In case of insufficient ventilation wear suitable respiratory equipment 通风不良时，佩带适当的呼吸器；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Storage condition Moisture Sensitive
Hazard Codes T
Hazard Class6.1
Restrict 剧毒化学品
Warnings 危化品目录(2015) 危险化学品 
TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 35200 mg/kg/42W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic 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       : 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 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            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2462 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMRL** Aerospace Medical Research Laboratory Report.  (Aerospace Technical
   Div., Air Force Systems Command, Wright-Patterson Air Force Base, OH 45433)
   Volume(issue)/page/year: TR-72-62,1972

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 210 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 publisher information, see MTPEEI
   Volume(issue)/page/year: 30(3),6,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3249 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMRL** Aerospace Medical Research Laboratory Report.  (Aerospace Technical
   Div., Air Force Systems Command, Wright-Patterson Air Force Base, OH 45433)
   Volume(issue)/page/year: TR-72-62,1972

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 32 ppm/2H
TOXIC EFFECTS :
   Brain and Coverings - recordings from specific areas of CNS
   Behavioral - excitement
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 600 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            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 600 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            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 31 umol/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

其他信息

  • 图谱信息:ALPHA,ALPHA-二氯甲苯(二氯甲苯)(98-87-3)质谱(MS) ALPHA,ALPHA-二氯甲苯(二氯甲苯)(98-87-3)红外图谱(IR2) ALPHA,ALPHA-二氯甲苯(二氯甲苯)(98-87-3)核磁图( 1 HNMR) ALPHA,ALPHA-二氯甲苯(二氯甲苯)(98-87-3)红外图谱(IR1) ALPHA,ALPHA-二氯甲苯(二氯甲苯)(98-87-3)核磁图( 13 CNMR)
  • Acros Organics:alpha,alpha-二氯甲苯（二氯甲苯） alpha,alpha-Dichlorotoluene,95%(98-87-3)
  • ALPHA,ALPHA-二氯甲苯(二氯甲苯)价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 407020050 ALPHA,ALPHA-二氯甲苯(二氯甲苯) alpha,alpha-Dichlorotoluene 95% 5 GR 234元 2010/06/21 407021000 ALPHA,ALPHA-二氯甲苯(二氯甲苯) alpha,alpha-Dichlorotoluene 95% 100 GR 254元
  • 储运特性:库房通风低温干燥; 与氧化剂、碱类分开存放
  • 毒性分级:中毒
  • 类别:腐蚀物品
  • Sigma Aldrich:98-87-3(sigmaaldrich)
  • Alfa Aesar:苯亚甲基氯化物,98% Benzal chloride, 98%(98-87-3)
  • 用途一:有机合成中间体。用于生产苯甲醛和肉桂酸、肉桂苯哌嗪等。
  • 灭火剂:干砂、二氧化碳
  • 急性毒性:口服- 大鼠 LD50: 3429 毫克/ 公斤; 口服- 小鼠 LD50: 2462 毫克/ 公斤
  • 下游产品:4-氯苯甲醛 --> 间苯氧基苯甲醛 --> 邻氯苯甲醛 --> 苄氯三唑醇 --> 2,6-二氯苯甲醛肟 --> 3-(2,6-二氯苯基)-5-甲基异恶唑-4-羧酸
  • MOL 文件:98-87-3.mol
  • 职业标准:STEL 0.5 毫克/ 立方米
  • 可燃性危险特性:为催泪剂,对人有强刺激作用,使中枢神经受损;可燃,燃烧产生有毒氯化物烟雾
  • 外观性质:无色油状液体，有刺激性气味。
  • MSDS 信息:二氯化苄(98-87-3).msds
  • 方法一:由甲苯氯化而得。干燥的甲苯在加热至沸（110℃）时，在光照下通氯反应。反应完成后蒸馏，收集204-208℃或104-105℃（4.0kPa）的馏分即为成品，收率84%。原料消耗定额：甲苯650kg/t、氯气1000kg/t。

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
  6. C7 - Aryl

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