2-Bromobenzonitrile 2-溴苯腈

CAS 2042-37-7 MFCD00001772

化学结构图

2042-37-7
SMILES: N#Cc1ccccc1Br

化学属性

Mol. FormulaC7H4BrN
Mol. Weight182.02
Boiling Point252°C at 760 mmHg
Melting Point53-57°C
Density1.496
Flash Point>110°(230°F)
TSCANo
Appearance 纯品为无色固体，熔点194-195℃。溶解度（25℃）：水中130mg/L，丙酮中170g/L，甲醇中90g/L，石油中＜20g/L。

别名和识别编码

Chemical Name2-Bromobenzonitrile
CAS Number2042-37-7
Alfabeta NameBROMOBENZONITRILE 2-
MDL NumberMFCD00001772
EC Number218-045-1
Beilstein Registry Number2042185
Synonym 2-Bromobenzonitrile {LY} 2-Bromobenzonitrile {} {LY} 2-Bromobenzonitrile {} {} {LY} 2-Bromobenzonitrile {} {} {} {LY} 2-Bromobenzonitrile {} {} {} {} {LY} 2-Bromobenzonitrile {} {} {} {} {} {LY} 2-Bromobenzonitrile {} {} {} {} {} {} {LY} 2-Bromobenzonitrile {} {} {} {} {} {} {} {LY} 2-Bromobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzonitrile {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzonitrile {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromobenzonitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID16272
Chemical Name Translation2-溴苯腈
Reaxys-RN2042185
InChIKeyAFMPMSCZPVNPEM-UHFFFAOYSA-N
LabNetwork Molecule IDLN00116555
InChIInChI=1S/C7H4BrN/c8-7-4-2-1-3-6(7)5-9/h1-4H
Canonical SMILESC1=CC=CC(=C1C#N)Br
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分类

  • {SNA} Building Blocks, C6 to C7, Chemical Synthesis, Cyanides/Nitriles, Nitrogen Compounds, Organic Building Blocks

产品应用

  • 溴苯腈及其盐和酯是有一定内吸活性的触杀性除草剂，主要用在禾谷类、亚麻、大蒜、玉米、洋葱、高粱和新播种的草皮，芽后防除草苗期阔叶杂草。与其他除草剂混用，可扩大除草谱。

相关文献及参考

  • Beilstein:9(2)232

安全信息

Warnings TOXIC
Signal word Warning
GHS Symbol
WGK Germany2
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • 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；
  • S36/37 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；
  • 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；
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R52/53
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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • 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。
  • P301+P312
  • P301+P312+P330
  • P301+P317
  • P302+P350
  • P302+P352
  • P302+P352+P312+P362+P364
  • P304+P312
  • P304+P340
  • P305+P351+P338
  • 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。
  • P317
  • P319
  • 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
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • 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.....
RTECSDI2459750
Packing GroupIII
UN Number 3276 UN3439
Hazard Codes Xn Xn,Xi
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 21,906,1978

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 溶解度（25℃）：水中130mg/L，丙酮中170g/L，甲醇中90g/L，石油中＜20g/L。
  • 方法一:可用尿素和二溴醛为原料生产，也采用对羟基苯甲醛、对羟基苯甲酸为原料生产。
  • 下游产品:1-(2-苯甲腈)哌嗪 --> 2-氰基苯硼酸
  • Sigma Aldrich:2042-37-7(sigmaaldrich)
  • Alfa Aesar:2-溴苯甲腈,99% 2-Bromobenzonitrile, 99%(2042-37-7)
  • MSDS 信息:2-Bromobenzonitrile(2042-37-7).msds
  • 图谱信息:2-溴苯腈(2042-37-7)核磁图( 1 HNMR) 2-溴苯腈(2042-37-7)Raman光谱 2-溴苯腈(2042-37-7)质谱(MS) 2-溴苯腈(2042-37-7)核磁图( 13 CNMR) 2-溴苯腈(2042-37-7)红外图谱(IR1) 2-溴苯腈(2042-37-7)红外图谱(IR2)
  • Acros Organics:2-溴苯甲腈 2-Bromobenzonitrile, 99%(2042-37-7)
  • 海关编码:29269095
  • 用途二:溴苯腈及其盐和酯是有一定内吸活性的触杀性除草剂，主要用在禾谷类、亚麻、大蒜、玉米、洋葱、高粱和新播种的草皮，芽后防除草苗期阔叶杂草。与其他除草剂混用，可扩大除草谱。
  • Hazard Note:Harmful/Irritant
  • 用途一:用作有机合成中间体
  • 2-溴苯腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010356 邻溴苯腈 50g 300元 2011/04/16 B1369 2-溴苯腈 2-Bromobenzonitrile 25G 2550元 2011/04/16 B1369 2-溴苯腈 2-Bromobenzonitrile 10G 1280元
  • TCI Shanghai:邻溴苯腈 2-Bromobenzonitrile,>;98.0%(GC)(2042-37-7)
  • 上游原料:对羟基苯甲醛 --> 对羟基苯甲酸 --> 3,5-二溴-4-羟基苯甲醛
  • MOL 文件:2042-37-7.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. C6 to C7 - 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
  6. C10 to C27

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