4-Chlorobutyronitrile 4-氯丁腈

CAS 628-20-6 MFCD00001972

化学结构图

628-20-6
SMILES: N#CCCCCl

化学属性

Mol. FormulaC4H6ClN
Mol. Weight103.55
Boiling Point195-197°C at 760 mmHg
Refractive index1.4410 to 1.4440
Density1.095
Flash Point91°C
TSCAYes
SolubilitySoluble in Chloroform and Ethyl Acetate
Appearance 无色液体。沸点195-197℃，相对密度1.158，折射率（nD20）1.4440。
Stability对空气敏感
Melting Point-44°C

别名和识别编码

Chemical Name4-Chlorobutyronitrile
CAS Number628-20-6
Alfabeta NameCHLOROBUTYRONITRILE 4-
MDL NumberMFCD00001972
PubChem Substance ID12336
EC Number211-031-6
Beilstein Registry Number1633582
Reaxys-RN1633582
Synonym 4-Chlorobutyronitrile {LY} 4-Chlorobutyronitrile {} {LY} 4-Chlorobutyronitrile {} {} {LY} 4-Chlorobutyronitrile {} {} {} {LY} 4-Chlorobutyronitrile {} {} {} {} {LY} 4-Chlorobutyronitrile {} {} {} {} {} {LY} 4-Chlorobutyronitrile {} {} {} {} {} {} {LY} 4-Chlorobutyronitrile {} {} {} {} {} {} {} {LY} 4-Chlorobutyronitrile {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyronitrile {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyronitrile {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyronitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyronitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyronitrile {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyronitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyronitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyronitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chlorobutyronitrile {} {} {} {} {}
Chemical Name Translation4-氯丁腈
InChIKeyZFCFBWSVQWGOJJ-UHFFFAOYSA-N
Wiswesser Line NotationNC3G
LabNetwork Molecule IDLN00126767
InChIInChI=1S/C4H6ClN/c5-3-1-2-4-6/h1-3H2
Canonical SMILESN#CCCCCl
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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
  • {SA} Building Blocks, C1 to C5, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

相关文献及参考

  • Short: II/25C
  • Beilstein:2,278
  • Short: III/38B

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard statements
  • 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,Xi T
RTECSET9020000
Precautionary statements
  • 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+P330
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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
  • P405 Store locked up. 上锁保管。
  • P301+P310
  • 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。
  • P305+P351+
Signal word
Safety Statements
  • 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；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • 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；
  • 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）；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • 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；
  • S7 Keep container tightly closed 保存在严格密闭容器中；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
Risk Statements
  • 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 UN 3276 6.1/PG 3 UN3276
Packing GroupIII
Hazard Class6.1
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 53380 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   55,47,1984

其他信息

  • 图谱信息:4-氯丁腈(628-20-6)质谱(MS) 4-氯丁腈(628-20-6)核磁图( 1 HNMR) 4-氯丁腈(628-20-6)核磁图( 13 CNMR) 4-氯丁腈(628-20-6)红外图谱(IR2) 4-氯丁腈(628-20-6)红外图谱(IR1)
  • Acros Organics:4-氯丁腈 4-Chlorobutyronitrile, 97%(628-20-6)
  • 可燃性危险特性:热分解排出有毒氮氧化物, 氯化物烟雾
  • 下游产品:环丙甲酸 --> 4-氨基丁酸 --> N,N-二乙基丁烷-1,4-二胺 --> 4-二甲基氨基丁胺 --> 2-(噻吩-2-基)吡咯烷
  • 类别:有毒物质
  • 毒性分级:高毒
  • 用途一:用于精细化学品的合成，医药工业用于环丙氟呱酸的合成。
  • 储运特性:库房低温通风干燥; 与酸类分开存放; 与食品原料分开存放
  • Alfa Aesar:4-氯丁腈,97% 4-Chlorobutyronitrile, 97%(628-20-6)
  • MSDS 信息:4-Chlorobutyronitrile(628-20-6).msds
  • 急性毒性:口服-小鼠 LD50: 53.38 毫克/公斤
  • 4-氯丁腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0925 4-氯丁腈 4-Chlorobutyronitrile 500ML 1920元 2014/06/02 C0925 4-氯丁腈 4-Chlorobutyronitrile 25ML 176元 2010/06/21 329940050 4-氯丁腈 4-Chlorobutyronitrile 97% 5 GR 129元
  • 海关编码:29269095
  • Hazard Note:Irritant
  • 灭火剂:水,二氧化碳, 泡沫, 干粉
  • TCI Shanghai:4-氯丁腈 4-Chlorobutyronitrile,>;97.0%(GC)(628-20-6)
  • Sigma Aldrich:628-20-6(sigmaaldrich)
  • 上游原料:氰化钾 --> 1-溴-3-氯丙烷
  • 方法一:由1-氯-3-溴丙烷与氰化钾反应得到。
  • MOL 文件:628-20-6.mol

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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