CAS 107-14-2 MFCD00001885-Chloroacetonitrile 氯乙腈 TAO{mole}

Chloroacetonitrile 氯乙腈

CAS 107-14-2 MFCD00001885

化学结构图

SMILES: N#CCCl

化学属性

Mol. Formula	C2H2ClN
Mol. Weight	76
Density	1.193
Refractive index	1.4220 to 1.4250
Boiling Point	126°C
Flash Point	47°C(lit.)
TSCA	Yes
Vapor Density	3 (vs air)
Vapor Pressure	1.78 psi ( 20 °C)
Solubility	不溶于水，溶于烃类、醇。
Melting Point	38°C

别名和识别编码

Chemical Name	Chloroacetonitrile
CAS Number	107-14-2
EC Number	203-467-0
Beilstein Registry Number	2,201
MDL Number	MFCD00001885
PubChem Substance ID	7856
Reaxys-RN	506028
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 Notation	NC1G
LabNetwork Molecule ID	LN00220631
InChI	InChI=1S/C2H2ClN/c3-1-2-4/h1H2

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产品应用

应用于有机合成，另作为分析试剂。

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