3-Bromopropionitrile 3-溴丙腈

CAS 2417-90-5 MFCD00001951

化学结构图

2417-90-5
SMILES: N#CCCBr

化学属性

Mol. FormulaC3H4BrN
Mol. Weight133.97
Density1.615 g/mL at 25 °C(lit.)
Refractive index1.4780 to 1.4820
Boiling Point-
Flash Point-
TSCAYes
Solubility可混溶于醇、醚。
Stability对光敏感,对湿度敏感
pH:A

别名和识别编码

Chemical Name3-Bromopropionitrile
CAS Number2417-90-5
EC Number219-332-4
Beilstein Registry Number2(4)766
MDL Number-
PubChem Substance ID17020
Reaxys-RN1738565
Synonym 1-Bromo-2-cyanoethane 1-Bromo-2-cyanoethane; 2-Bromoethyl cyanide; 2-Cyanoethyl bromide; 3-Bromopropanenitrile 2-Bromoethyl cyanide 2-Cyanoethyl bromide 2-bromoethylcyanide 2-bromopropanonitrile 2-cyanoethylbromide 3-BROMOPROPIONITRILE 3-Bromoethyl cyanide 3-Bromoethyleyanide 3-Bromopropanenitrile 3-Bromopropionitrile {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation3-溴丙腈
Wiswesser Line NotationNC2E
InChIKeyCQZIEDXCLQOOEH-UHFFFAOYSA-N
LabNetwork Molecule IDLN00197094
InChIInChI=1S/C3H4BrN/c4-2-1-3-5/h1-2H2
Canonical SMILES-
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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

  • 用于有机合成。

相关文献及参考

  • Beilstein:2(4)766
  • Short: II/24B
  • Reagent for protection of thiols (K 2 CO 3 - DMF) as S-2-cyanoethyl thioethers. Deprotection can be effected with conc. ammonia: Nucleic Acids Res., 19, 5719 (1991), K 2 CO 3 /NaBH 4 in DMF: Tetrahedron Lett., 27, 203 (1986), or KO-t-Bu - DMF: Bull. Chem. Soc. Jpn., 63, 829 (1990).

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H300 Fatal if swallowed 吞食致命
  • H300+H310+H330
  • H301 Toxic if swallowed 吞食有毒
  • H301+H311+H331
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • 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 T
RTECSUG1050000
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。
  • 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+P316
  • P302+P350
  • P302+P352
  • P302+P352+P310+P361+P364
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P316
  • 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
  • P361 Remove/Take off immediately all contaminated clothing. 立即去除/脱掉所有被污染的衣服。
  • P361+P364
  • 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.....
Signal word Danger
UN Number 3276 UN 3276 6.1/PG 2 UN3276
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
  • 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
  • R25 Toxic if swallowed 吞咽有毒
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）；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
Packing GroupII
Hazard Class6.1
Storage condition N/A N/A℃ No Data Available 充氩保存
Warnings 危化品目录(2015) 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 80 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 7,692,1955

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 50 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

Restrict 危险品

其他信息

  • 急性毒性:腹腔- 小鼠 LD50: 50 毫克/ 公斤
  • 易溶于乙醇和乙醚。
  • 图谱信息:3-溴丙腈(2417-90-5)红外图谱(IR1) 3-溴丙腈(2417-90-5)核磁图( 13 CNMR) 3-溴丙腈(2417-90-5)质谱(MS) 3-溴丙腈(2417-90-5)Raman光谱 3-溴丙腈(2417-90-5)核磁图( 1 HNMR) 3-溴丙腈(2417-90-5)红外图谱(IR2)
  • 储运特性:库房通风低温干燥; 与氧化剂、酸类、食品添加剂分开存放
  • 用途一:用于有机合成。
  • 毒性分级:高毒
  • 3-溴丙腈价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1762 3-溴丙腈 3-Bromopropionitrile 25G 435元 2010/06/21 149040250 3-溴丙腈 3-Bromopropionitrile 98% 25 GR 259元 2010/06/21 149041000 3-溴丙腈 3-Bromopropionitrile 98% 100 GR 977元
  • 上游原料:苯
  • F:8
  • MSDS 信息:β-溴丙腈(2417-90-5).msds
  • 方法一:由β-羟基丙腈与三溴化磷反应而得。β-羟基丙腈与三溴化磷以3：1的摩尔配比加入苯中反应。反应结束后蒸除溶剂苯。再将反应物减压蒸馏，收集68-69℃（0.93kPa）馏分即3-溴丙腈。产率43%。
  • 可燃性危险特性:明火可燃; 高热放出有毒溴化物, 氮氧化物和氰化物气体
  • Sigma Aldrich:2417-90-5(sigmaaldrich)
  • 外观性质:无色或淡黄色液体。
  • MOL 文件:2417-90-5.mol
  • Acros Organics:3-溴丙腈 3-Bromopropionitrile, 98%(2417-90-5)
  • 灭火剂:泡沫、雾状水、砂土、二氧化碳;禁用酸碱灭火剂
  • Alfa Aesar:3-溴丙腈,98% 3-Bromopropionitrile, 98%(2417-90-5)
  • 下游产品:地达诺辛 --> 亚精胺
  • TCI Shanghai:3-溴丙腈 3-Bromopropionitrile,>;97.0%(GC)(2417-90-5)
  • 类别:有毒物品

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