Chloroacetonitrile 氯乙腈

CAS 107-14-2 MFCD00001885

化学结构图

107-14-2
SMILES: N#CCCl

化学属性

Mol. FormulaC2H2ClN
Mol. Weight76
Density1.193
Refractive index1.4220 to 1.4250
Boiling Point126°C
Flash Point47°C(lit.)
TSCAYes
Vapor Density3 (vs air)
Vapor Pressure1.78 psi ( 20 °C)
Solubility不溶于水，溶于烃类、醇。
Melting Point38°C

别名和识别编码

Chemical NameChloroacetonitrile
CAS Number107-14-2
EC Number203-467-0
Beilstein Registry Number2,201
MDL NumberMFCD00001885
PubChem Substance ID7856
Reaxys-RN506028
Synonym {uni_hamburg} usafkf-5 USAF KF-5 氯甲基氰,一氯乙腈 Chloromethyl cyanide 氯甲基氰 CHLOROETHANENITRILE CHLOROACETONITRILE AKOS BBS-00004385 Monochloromethyl cyanide Usaf kf-5 Acetonitrile,chloro- Chloroacetonitrile ,99% Chlorethannitril CH2ClCN 氯乙酰腈, 98+% USAF kf-5 氯乙腈 Chloroethanenitrile Chloracetonitril CHLOROMETHYL CYANIDE 氰化氯甲烷 dichloroethanenitrile 2-Chloroacetonitrile Chloressigsäurenitril 氯代氰基甲烷 氰化二氯甲烷 氰氯甲烷 chloro-acetonitrile monochloromethylcyanide 氯(代)乙腈 聚乙腈 Monochloroacetonitrile chloroacetonitrile Chlormethylcyanid 一氯乙腈 Chloroacetonitrile, 98+% α-Chloroacetonitrile Chlorocyanomethane alpha-Chloroacetonitrile Chloracetonitrile 氯代乙腈 chloro-acetonitril Chlorcyanomethan Acetonitrile, chloro-
Chemical Name Translation氯乙腈
Wiswesser Line NotationNC1G
LabNetwork Molecule IDLN00220631
InChIInChI=1S/C2H2ClN/c3-1-2-4/h1H2
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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

  • 应用于有机合成，另作为分析试剂。

相关文献及参考

  • Forms cyanomethyl esters with carboxylic acids, e.g. in the presence of Et3N, which are a useful protection method; the esters are readily cleaved by Na2S in aqueous acetone: Synth. Commun., 22, 693 (1992).
  • Short: II/19b
  • Ritter reaction with tertiary alcohols yields 2-chloroacetamides which, on treatment with thiourea, provides a high-yield conversion of tertiary alcohols to the corresponding amines: Synthesis, 1709 (2000):
  • Good yields of ß-hydroxy nitriles have been obtained by Reformatsky-type reaction with aldehydes and ketones using Zn and TMS chloride: Tetrahedron Lett., 31, 2205 (1990). See Bromoacetonitrile, A13933.
  • In the presence of base, Darzens condensation with aldehydes and ketones, under conventional or phase-transfer conditions, gives glycidonitriles (cyano epoxides), readily converted to the homologated carboxylic acids, esters or aldehydes with loss of cyanide: J. Chem. Soc., Chem. Commun., 988 (1974); Coll. Czech. Chem. Commun., 53, 822 (1988).
  • For use in vicarious nucleophilic substitution of hydrogen in nitro-substituted hetereocycles, see 2-Nitrothiophene, A17464.
  • Beilstein:2,201

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
  • H331 Toxic if inhaled 吸入中毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H301 Toxic if swallowed 吞食有毒
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes T,N T;N
RTECSAL8225000
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P301+P310
  • 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。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P337+P313
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P303+P361+P353
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • 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。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P403+P235
Signal word Danger Warning
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）；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
  • 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；
  • S1/2 None 上锁保管并避免儿童触及；
Risk Statements
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
  • R51/53
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
UN Number 2668 UN2668 UN 2668 6.1/PG 2
Storage condition 0-10 储存温度2-8℃ 0-10°C
Packing GroupI
Hazard Class6.1/3
Warnings 危化品目录(2015) 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4800 mg/kg/2W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Skin and Appendages - tumors
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            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 71 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 250 ppm/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 220 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 79100 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            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 115 mg/kg
REFERENCE :
   TOXID9 Toxicologist.  (Soc. of Toxicology, Inc., 475 Wolf Ledge Parkway,
   Akron, OH 44311) V.1-    1981-  Volume(issue)/page/year: 13,220,1993

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 30 mg/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            : DNA damage
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 15 umol/L
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: PB84-246230

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Multiple routes
TEST SYSTEM             : Non-mammalian species
DOSE/DURATION           : 1250 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

Restrict 危险品

其他信息

  • 可燃性危险特性:明火可燃; 受热分解有毒的氮化合物,氯化物和氰化物气体
  • 用途一:用作医药中间体
  • 灭火剂:干粉、干石粉、二氧化碳、砂土。禁用酸碱灭火剂。
  • 上游原料:氯乙酸乙酯 --> 氯乙酰胺
  • 图谱信息:氯乙腈(107-14-2)核磁图( 1 HNM
  • 用途三:应用于有机合成，另作为分析试剂。
  • 蒸气密度:3 (vs air)
  • 方法一:由氯乙酸与乙醇反应生成氯乙酸乙酯，再与氨水反应生成氯乙酰胺，最后脱水而得：将氯乙酸加入乙醇中，在搅拌下加入浓硫酸，加热回流后停止搅拌，反应8-10h，过滤水洗，分去水层，得氯乙酸乙酯。将其加入0-2℃的氨水中，温度不超过15℃，加完后搅拌10-15min，冷却，静置，过滤，干燥得氯乙酰胺。然后，在氯乙酰胺中加五氧化二磷，加热脱水，一边加热一边蒸出氯乙腈，最后减压蒸馏使氯乙腈全部蒸出。将所得粗品用五氧化二磷和氧化镁干燥，减压分馏而得成品。
  • 类别:有毒物品
  • 类别:有
  • 有刺激性呛味, 127℃分解，溶于乙醇和乙醚，不溶于水，溶于烃和氯化的消毒液。
  • 外观性质:无色液体，有刺激性气味。
  • 下游产品:2-苯氧基乙胺 --> 4-甲基-1-哌嗪乙胺 --> 2-苯氧基乙基胺盐酸盐 --> 2-苯氧基乙烷亚胺酰胺盐酸盐二水合物 --> 2-(4-
  • 用
  • 方法一:由氯乙酸与乙醇反应生成氯乙酸乙酯，再与氨水反应生成氯乙酰胺，最后脱水而得：将氯乙酸加入乙醇中，在搅拌下加入浓硫酸，加热回流后停止搅拌，反应8-10h，过滤水洗，分去水层，得氯乙酸乙酯。将其加入0-2℃的氨水中，温度
  • 海关编码:29269095
  • {C
  • 用途二:用作有机合成原料和分析试剂。
  • 产品特性:氯乙腈亦称“氰化氯甲烷”。化学式ClCH2CN。分子量75.50。无色发烟液体。熔点38℃，沸点126～127℃(分解)、30～32℃(2.0kPa)，相对密度1.1930，折光率1.420225。溶于醚、醇及烃类，不溶于水。极毒。能与三氯化铝形成加合物，并可与均苯三酚三甲醚、甲氧基苯乙酮、格氏试剂、无水氯化氢等多种试剂反应。可由氯乙酰胺在五氧化二磷作用下脱水制的，或由过量乙腈在460℃与氯气反应制的，还可将氨气导入二氯乙炔的乙醚溶液而得。氯乙腈可用作熏蒸剂。 熏蒸剂是指利用挥发时所产生的蒸气毒杀有害生物的一类农药。以气态分子进入有害生物体内而起毒杀作用，有异于气化的液体、固体或压缩气体等形式。使用剂量根据熏蒸场所空间体积计算（单位为克/米3），浓度根据熏蒸时间、熏蒸场所密闭程度、被熏蒸物的量和对熏蒸剂蒸气的吸附能力等确定。宜在仓库、帐幕、房屋、车厢、船舱等能密闭或近于密闭的条件下施用，在被熏蒸物体大量集中的情况下，可以有效地消灭隐蔽的害虫或病菌。 熏蒸剂的蒸气一般是直接通过害虫的表皮或气门进入呼吸系统，从而渗透到血液使害虫中毒死亡。其杀虫作用一般认为在于对酶的化学作用。如溴甲烷能同硫氢基结合，使害虫体内的多种酶类产生渐逆和不可逆的抑制作用。磷化氢抑制动物的中枢神经，刺激肺部引起水肿，导致心脏肿胀综合症。三氯乙烷、二溴乙烷、四氯化碳等熏蒸剂主要是麻醉剂，二氧化碳则主要起窒息作用。
  • Sigma Aldrich:107-14-2(sigmaaldrich)
  • 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 C0094 氯乙腈 Chloroacetonitrile 500G 500元 2014/06/02 C0094 氯乙腈 Chloroacetonitrile 25G 99元 2010/06/21 108525000 氯乙腈 Chloroacetonitrile 98+% 500 ML 1813元
  • 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 C0094 氯乙腈 Chloroacetonitrile 500G 500元 2014/06/02 C0094 氯乙腈 Chloroacetonitrile 25G 99元 2010/06/21 10852500

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. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles - Nitrogen Compounds
  6. C1 to C5 - Cyanides/Nitriles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Cyanides/Nitriles

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