Dichloroacetonitrile 二氯乙腈

CAS 3018-12-0 MFCD00040886

化学结构图

3018-12-0
SMILES: N#CC(Cl)Cl

化学属性

Mol. FormulaC₂HCl₂N
Mol. Weight109.94
Refractive index1.4390 to 1.4430
Boiling Point-
Density1.369
Flash Point-
TSCANo
Solubility可混溶于乙醇、乙醚、甲醇。

别名和识别编码

Chemical NameDichloroacetonitrile
CAS Number3018-12-0
PubChem Substance ID18177
EC Number221-159-4
Beilstein Registry Number1739029
MDL Number-
Reaxys-RN1739029
Synonym 1,1-Dichlorocarbonitrile 2,2-Dichloroethanenitrile Acetnitrile, dichloro- Acetnitrile,dichloro- Acetonitrile, dichloro- DICHLOROACETONITRILE DICHLOROACETONITRILE, STANDARD FOR GC Dichloracetonitril Dichloroacetonitrile {} {} {Chemicalbook} dichloromethylcyanide {} {} {} {PubChem} dichloroacetonitrile {} {} {} {} {uni_hamburg} dichloro-acetonitrile {} {} {} {} {} {Chemicalbook} dichloro-acetonitril {} {} {} {} {} {} {uni_hamburg} Dichloromethyl cyanide {} {} {} {} {} {} {} {Chemicalbook} Dichloroacetonitrile, 98+% {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} Α,Α-二氯苯乙酮 Ω,Ω-二氯苯乙酮 二氯乙腈 二氯乙腈, 98+% 氰代二氯甲烷 氰化二氯甲烷
Chemical Name Translation二氯乙腈
Wiswesser Line NotationNCYGG
LabNetwork Molecule IDLN00194795
InChIInChI=1S/C2HCl2N/c3-2(4)1-5/h2H
Canonical SMILES-
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分类

  • Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks
  • {uni_hamburg} no charge; 1fragment
  • {SNA} Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

产品应用

  • 用于有机合成,也用作溶剂。

相关文献及参考

  • Undergoes alkylation with triethylborane using the hindered base potassium 2,6-di-tert-butylphenoxide (from 2,6-Di-tert-butyl­phenol, A17244): J. Am. Chem. Soc., 92, 5790 (1970).
  • Short: III/20a
  • Short: EINECS
  • Beilstein:2(4)506
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 8 C
RTECSAL8465000
Precautionary statements
  • 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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施,防止静电放电。
  • 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。
  • 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。
  • 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。
  • P301+P312
  • P301+P317
  • P301+P330+P331
  • P301+P330+P331+P310
  • P302+P361+P354
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P316
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S25 Avoid contact with eyes 避免眼睛接触;
  • 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;
  • 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);
Risk Statements
  • R10 Flammable 易燃
  • R22 Harmful if swallowed 吞咽有害
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R63 Possible risk of harm to the unborn child 可能危害未出生婴儿
  • R68 Possible risk of irreversible effects 可能有不可挽回的作用的危险
UN Number 2920
Packing GroupII
Hazard Class8/3
Storage condition 0-6°C 4°C
Warnings 危化品目录(2015)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 270 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - coma
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   EVHPAZ EHP, Environmental Health Perspectives.  (U.S. Government Printing
   Office, Supt of Documents, Washington, DC 20402)  No.1-    1972-
   Volume(issue)/page/year: 69,183,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 330 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - coma
   Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
   EVHPAZ EHP, Environmental Health Perspectives.  (U.S. Government Printing
   Office, Supt of Documents, Washington, DC 20402)  No.1-    1972-
   Volume(issue)/page/year: 69,183,1986

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 20800 nmol/L
REFERENCE :
   FAATDF Fundamental and Applied Toxicology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1981-  Volume(issue)/page/year:
   5,1065,1985

TYPE OF TEST            : Mutation test systems - not otherwise specified
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 50 mg/L
REFERENCE :
   MUREAV Mutation Res

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 nmol/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 5,447,1983

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 33 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 8(Suppl
   7),1,1986

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 200 ppm
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 7,325,1985

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Multiple routes
TEST SYSTEM             : Non-mammalian species
DOSE/DURATION           : 250 ug/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 341,289,1995

TYPE OF TEST            : Sex chro

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 825 mg/kg
SEX/DURATION            : female 7-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Newborn - weaning or lactation index (e.g., #
   alive at weaning per # alive at day 4)
   Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
   gain)
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 46,83,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 325 mg/kg
SEX/DURATION            : female 6-18 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - cardiovascular
   (circulatory) system
   Reproductive - Specific Developmental Abnormalities - gastrointestinal
   system
   Reproductive - Specific Developmental Abnormalities - urogenital system
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 35,58A,1987

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 825 mg/kg
SEX/DURATION            : female 7-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
   Reproductive - Effects on Newborn - live birth index (measured after birth)
REFERENCE :
   TXCYAC Toxicology.  (Elsevier Scientific Pub. Ireland, Ltd., POB 85,
   Limerick, Ireland) V.1-    1973-  Volume(issue)/page/year: 46,83,1987

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Restrict 危险品

其他信息

  • Sigma Aldrich:3018-12-0(sigmaaldrich)
  • 二氯乙腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D2510 二氯乙腈 Dichloroacetonitrile 500G 3300元 2014/06/02 D2510 二氯乙腈 Dichloroacetonitrile 25G 300元 2010/05/25 A10612 二氯乙腈, 98+% Dichloroacetonitrile, 98+% 25g 787元
  • 上游原料:氰乙酸 --> 丁二酰亚胺
  • 毒性分级:高毒
  • TCI Shanghai:二氯乙腈 Dichloroacetonitrile,>;98.0%(GC)(3018-12-0)
  • MOL 文件:3018-12-0.mol
  • MSDS 信息:二氯乙腈(3018-12-0).msds
  • 灭火剂:泡沫、二氧化碳、干粉、砂土
  • 可燃性危险特性:明火可燃;受热分解放出有毒氯化物和氮氧化物
  • 急性毒性:口服-大鼠 LD50: 330 毫克/公斤; 口服-小鼠 LD50: 270 毫克/公斤
  • 用途一:可作有机溶剂、作有机合成的中间体
  • 图谱信息:二氯乙腈(3018-12-0)核磁图( 13 CNMR) 二氯乙腈(3018-12-0)核磁图( 1 HNMR) 二氯乙腈(3018-12-0)质谱(MS) 二氯乙腈(3018-12-0)红外图谱(IR1)
  • 用途三:用于有机合成,也用作溶剂。
  • Alfa Aesar:二氯乙腈,98+% Dichloroacetonitrile, 98+%(3018-12-0)
  • 外观性质:无色液体。
  • 储运特性:库房通风低温干燥; 与氧化剂、食品添加剂、酸类分开存放
  • F:9-19
  • 方法一:由N-氰代丁二酰亚胺与氰乙酸反应而得。
  • 可混溶于乙醇、乙醚、甲醇。
  • 用途二:用作医药、农药中间体
  • 类别:有毒物品

系列性分类