Bromoacetonitrile 溴乙腈

CAS 590-17-0 MFCD00001884

化学结构图

590-17-0
SMILES: N#CCBr

化学属性

Mol. FormulaC2H2BrN
Mol. Weight119.95
Boiling Point60-62 °C at 24 mmHg
Refractive index1.4760 to 1.4810
Density1.722
Flash Point110°C
TSCANo
Stability对光敏感
Appearance 黄色油状液体。沸点150-151℃（100kPa），46℃（1.73kPa），相对密度1.722，折光率1.4800，溶于乙醚，微溶于乙醇。
pH:A

别名和识别编码

Chemical NameBromoacetonitrile
CAS Number590-17-0
Alfabeta NameBROMOACETONITRILE
MDL NumberMFCD00001884
PubChem Substance ID11534
EC Number209-672-1
Beilstein Registry Number956569
Reaxys-RN956569
Synonym Cyanomethyl bromide {LY} Cyanomethyl bromide {} {LY} Cyanomethyl bromide {} {} {LY} Cyanomethyl bromide {} {} {} {LY} Cyanomethyl bromide {} {} {} {} {LY} Cyanomethyl bromide {} {} {} {} {} {LY} Cyanomethyl bromide {} {} {} {} {} {} {LY} Cyanomethyl bromide {} {} {} {} {} {} {} {LY} Cyanomethyl bromide {} {} {} {} {} {} {} {} {LY} Cyanomethyl bromide {} {} {} {} {} {} {} {} {} {LY} Cyanomethyl bromide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyanomethyl bromide {} {} {} {} {} {} {} {} {} {} {} {LY} Cyanomethyl bromide {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyanomethyl bromide {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyanomethyl bromide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyanomethyl bromide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cyanomethyl bromide {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation溴乙腈
LabNetwork Molecule IDLN00115670
InChIInChI=1S/C2H2BrN/c3-1-2-4/h1H2
Canonical SMILESN#CCBr
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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

  • 有机合成。

相关文献及参考

  • Short: II/14a
  • Phenols can be protected (K2CO3, acetone) as their cyanomethyl ethers which can be cleaved by hydrogenation of the nitrile: Tetrahedron Lett., 34, 7567 (1993).
  • The Reformatsky-type reaction with cyclohexanone is more successful in the presence of a Zn/Ag couple than with the conventional Zn-Cu couple: Synth. Commun., 19, 2355 (1989). Good yields of ß-hydroxy nitriles have also been achieved from aldehydes and ketones using Zn and TMS chloride: Tetrahedron Lett., 31, 2205 (1990). The condensation with aldehydes can also be mediated by active Ni: Tetrahedron Lett., 26, 155 (1985). The reaction with aldehydes in the presence of Zn and tri-n-butylphosphine gives ɑß-unsaturated nitriles directly: Synth. Commun., 20, 3277 (1990).
  • Short: II/24B
  • Beilstein:2,216

安全信息

Warnings LACHRYMATOR, TOXIC, CORROSIVE
GHS Symbol
WGK Germany3
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • H301+H311+H331
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H330 Fatal if inhaled 吸入致命
  • H331 Toxic if inhaled 吸入中毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 6.1 T T,C
RTECSAL7970000
Precautionary statements
  • 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。
  • P284 Wear respiratory protection.? 佩戴呼吸保护装置。
  • P301+P310
  • P301+P310+P330
  • P301+P330+P331
  • P302+P352
  • P302+P352+P312+P361+P364
  • P303+P361+P353
  • P304+P340
  • P304+P340+P311
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P320 Specific treatment is urgent (see … on this label). 紧急具体治疗（见本标签上的）。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P322 Specific measures (see …on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P337+P313
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • 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
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P403+P233
  • 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
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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 Wear suitable protective clothing 穿戴适当的防护服；
  • 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
  • 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
  • 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 3276 UN 3276 6.1/PG 3
Packing GroupIII
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class6.1 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 6 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            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 19350 ug/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            : Micronucleus test
ROUTE OF EXPOSURE       : Multiple routes
TEST SYSTEM             : Non-mammalian species
DOSE/DURATION           : 125 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

其他信息

  • F:19
  • 用途一:用于有机合成
  • 储运特性:库房通风低温干燥
  • 图谱信息:溴乙腈(590-17-0)质谱(MS) 溴乙腈(590-17-0)红外图谱(IR1)
  • 方法一:乙腈与N-溴代琥珀酰亚胺反应而得。反应在溶剂加氯化碳中进行，在反应混合物中加入少量硫，回流反应14h。将反应物蒸馏，收集60-62℃（3.19kPa）馏分即得溴乙腈。
  • MOL 文件:590-17-0.mol
  • TCI Shanghai:溴乙腈 Bromoacetonitrile,>;97.0%(GC)(590-17-0)
  • 用途二:有机合成中间体。
  • Alfa Aesar:溴乙腈,96% Bromoacetonitrile, 96%(590-17-0)
  • 可燃性危险特性:热分解排出有毒氮氧化物和溴化物蒸汽
  • 灭火剂:水,泡沫,沙土,二氧化碳,干粉
  • Acros Organics:溴乙腈 Bromoacetonitrile, 97%(590-17-0)
  • 溴乙腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1058 溴乙腈 Bromoacetonitrile 25G 612元 2014/06/02 B1058 溴乙腈 Bromoacetonitrile 500G 5090元 2010/06/21 221860250 溴乙腈 Bromoacetonitrile 97% 25 GR 936元
  • 类别:有毒物质
  • 上游原料:N-溴代丁二酰亚胺
  • 溶于乙醚，微溶于乙醇。有毒。有催泪性。
  • Sigma Aldrich:590-17-0(sigmaaldrich)
  • 下游产品:DL-氮杂环丁烷-2-羧酸 --> (S)-(-)-2-羧基环丁胺 --> 2-(丁-3-炔氧基)乙胺
  • MSDS 信息:Bromoacetonitrile(590-17-0).msds

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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