3-Chloropropionitrile 3-氯丙腈

CAS 542-76-7 MFCD00001952

化学结构图

542-76-7
SMILES: N#CCCCl

化学属性

Mol. FormulaC3H4ClN
Mol. Weight89.52
Refractive index1.4370 to 1.4390
Boiling Point174-176 °C(lit.)
Density1.144 g/mL at 25 °C(lit.)
Melting Point-52--50 °C (lit.)
Flash Point79°C(lit.)
TSCAYes
Solubility4.50 G/100 ML

别名和识别编码

Chemical Name3-Chloropropionitrile
CAS Number542-76-7
PubChem Substance ID87565431
EC Number208-827-0
Beilstein Registry Number2,250
MDL NumberMFCD00001952
Merck Number2160
Synonym β-Chloropropionitrile Propanenitrile, 3-chloro- β-氯丙腈 BETA-CHLOROPROPIONITRILE 3-Chlorpropionitril 3-chloropropanenitrile 3-Chloropropanenitrile 3-Chloropropanenitrile-Chloroethylcyanide 3-chloropropiononitrile USAF A-8798 propanenitrile, 3-chloro- 1-Chloro-2-cyanoethane Propionitrile, 3-chloro- CH2ClCH2CN Β-氯丙腈 3-CHLOROPROPIONITRILE 氰化-β-氯乙烷 RCRA waste number P027 3-CHLOROPROPIONIC ACID NITRILE 3-chloro-propionitrile 3-Chlorpropionsäurenitril 3-chloro-propanenitril 3-CHLOROPROPIONONITRILE Usaf a-8798 rcrawastenumberp027 3-Chloropropuinitrile 2-Cyanoe
Chemical Name Translation3-氯丙腈
Wiswesser Line NotationNC2G
LabNetwork Molecule IDLN00239427
Reaxys-RN1098454
InChIInChI=1S/C3H4ClN/c4-2-1-3-5/h1-2H2
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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

相关文献及参考

  • Aldrich MSDS 1 , 451:B / Corp MSDS 1 (1), 848:D / FT-IR 1 (1), 849:B / FT-IR 2 (1), 1438:C / FT-NMR 1 (1), 1368:A / IR-Spectra (2), 450:C / IR-Spectra (3), 506:H / NMR-Reference 2 (1), 706:D / RegBook 1 (1), 997:D / Sax 6 , 769 / Structure Index 1 , 155:B:7 / Vapor Phase 3 , 808:A
  • Beil. 2 ,IV,751
  • Merck 14 ,2160
  • Short: II/24B Title: Molecular Constants mostly from Microwave, Molecular Beam, and Sub-Doppler Laser Spectroscopy: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/24B Year: 2000 Keyword: Diamagnetics Diatomics; Linear Symmetric Rotors; Molecular Constants; Molecules ISBN: 3-540-65345-7 ISBN: 978-3-540-65345-5 Internet Resource: DOI:10.1007/b58835 RefComment: VIII, 525 pages. Hardcover Abstract: Volume II/24 presents the spectroscopic data on diamagnetic and paramagnetic molecules as well as on molecular ions and radicals up to date considering the publications up to and partly including 1997. The spectroscopic information collected in this volume has been obtained principally from gas phase microwave measurements. Volume II/24 is a supplement to volumes II/4, II/6, II/14, and II/19 and is planned to appear in five subvolumes, the last of which will contain the substance index taking into account all molecules worked at since 1967 in the volumes mentioned and will provide cross references to and between all tables of these. The present subvolume II/24B contains an introduction and tables of rotational and centrifugal distortion constants of asymmetric-top molecules, i.e. data which roughly specifies the frequencies of the rotational transitions of these types of rotors.
  • Short: II/24C Title: Molecular Constants mostly from Microwave, Molecular Beam, and Sub-Doppler Laser Spec

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H300 Fatal if swallowed 吞食致命
  • H331 Toxic if inhaled 吸入中毒
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes T+
RTECSUG1400000
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。
  • 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。
  • 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。
  • P301+P310
  • P301+P310+P330
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P307+P311
  • P308+P311
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P337+P313
  • P370+P378
  • P403+P233
  • 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
UN Number 3276 UN 3276 6.1/PG 2 UN3276
Risk Statements
  • R28 Very toxic if swallowed 吞咽极毒
  • R23 Toxic by inhalation 吸入有毒
Safety Statements
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后,立即用大量…(由生产厂家指定)冲洗;
  • 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);
  • S20 When using do not eat or drink 使用时,不得进食,饮水;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
Packing GroupII
Hazard Class6.1
Restrict {} 剧毒化学品 危险品
Warnings 危化品目录(2015)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - convulsions or effect on seizure threshold
   Vascular - regional or general arteriolar or venous dilation
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0571125

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 9 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
REFERENCE :
   14CYAT "Industrial Hygiene and Toxicology," 2nd ed., Patty, F.A., ed., New
   York, John Wiley & Sons, Inc., 1958-63  Volume(issue)/page/year: 2,2025,1963

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       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#01996

其他信息

  • 用途二:用于药物及高分子合成。
  • 毒性分级:剧毒
  • 灭火剂:雾状水、二氧化碳、砂土。禁用酸碱灭火剂。
  • 3-氯丙腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80035526 3-氯丙腈(剧毒) 100ml 250元
  • MSDS 信息:3-氯丙腈(542-76-7).msds
  • 方法一:由丙烯腈与氯化氢反应而得。在冷却下,将干燥的氯化氢通入丙烯腈中,氯化氢很快被吸收反应,反应液慢慢增重达理论量时停止通气。蒸馏收集68-71℃(2.13kPa)馏分,用10%碳酸钠洗涤,用无水硫酸钠干燥。重新蒸馏取70-71℃(2.13kPa)馏分得成品。产率为80%。
  • 图谱信息:3-氯丙腈(542-76-7)核磁图( 13 CNMR) 3-氯丙腈(542-76-7)Raman光谱 3-氯丙腈(542-76-7)核磁图( 1 HNMR) 3-氯丙腈(542-76-7)质谱(MS) 3-氯丙腈(542-76-7)红外图谱(IR1)
  • 外观性质:无色有特殊臭味的液体。
  • 用途一:用作中间体及有机合成原料
  • 可燃性危险特性:明火可燃; 高热放出有毒的氢氰酸气体;受热产生有毒氯化物和氮氧化物烟雾
  • MOL 文件:542-76-7.mol
  • 海关编码:29269095
  • Sigma Aldrich:542-76-7(sigmaaldrich)
  • 急性毒性:口服- 大鼠 LD50: 100 毫克/ 公斤; 口服- 小鼠 LD50: 9 毫克/ 公斤
  • 储运特性:库房通风低温干燥; 与食品添加剂、氧化剂分开存放
  • 类别:有毒物品
  • Alfa Aesar:3-氯丙腈,98% 3-Chloropropionitrile, 98%(542-76-7)
  • 上游原料:丙烯腈

系列性分类


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