2-Bromo-3-Methylbutyric Acid 2-溴代异戊酸

CAS 565-74-2 MFCD00004210

化学结构图

565-74-2
SMILES: CC(C)C(Br)C(=O)O

化学属性

Mol. FormulaC5H9BrO2
Mol. Weight181.03
Boiling Point124-126 °C at 20 mmHg
Melting Point39-42 °C
TSCAYes
Flash Point107 ºC
Density1.513
Appearance 白色棱形晶体。熔点44℃,沸点230℃(部分分解),124-126℃(2.67kPa)。溶于醇和醚,微溶于水。

别名和识别编码

Chemical Name2-Bromo-3-Methylbutyric Acid
MDL NumberMFCD00004210
CAS Number565-74-2
Synonym 2-Bromo-3-methylbutanoic acid {LY} 2-Bromo-3-methylbutanoic acid {} {LY} 2-Bromo-3-methylbutanoic acid {} {} {LY} 2-Bromo-3-methylbutanoic acid {} {} {} {LY} 2-Bromo-3-methylbutanoic acid {} {} {} {} {} {} {} {} {LY} 2-Bromo-3-methylbutanoic acid {} {} {} {} {} {LY} 2-Bromo-3-methylbutanoic acid {} {} {} {} {} {} {LY} 2-Bromo-3-methylbutanoic acid {} {} {} {} {} {} {} {LY} 2-Bromo-3-methylbutanoic acid {} {} {} {} {} {} {} {} {LY} 2-Bromo-3-methylbutanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-3-methylbutanoic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-3-methylbutanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-3-methylbutanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-3-methylbutanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-3-methylbutanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-3-methylbutanoic acid
PubChem Substance ID87563674
EC Number209-291-0
Beilstein Registry Number1721146
Merck Number1422
Reaxys-RN1721143
Chemical Name Translation2-溴代异戊酸
InChIKeyUEBARDWJXBGYEJ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00196641
InChIInChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)
Canonical SMILESCC(C)C(Br)C(O)=O
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分类

  • {SNA} Building Blocks, C1 to C5, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Merck:14,1422 Beilstein:2(3)705
  • Merck:14,1422

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H302+H312
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
Personal Protective Equipment Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
RTECSES8055000
Precautionary statements
  • P234 Keep only in original container. 只保留在原来的容器中。
  • 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。
  • 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+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P390 Absorb spillage to prevent material damage. 吸收溢出物,防止重大损害。
  • P405 Store locked up. 上锁保管。
  • P406 Store in corrosive resistant/… container with a resistant inner liner. 存放在耐腐蚀/具有耐性的内衬容器。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
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;
  • 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;
  • 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);
Packing GroupII
UN Number 3261 UN 3261 8/PG 2
Risk Statements
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R34 Causes burns 会导致灼伤
Hazard Codes 8 C
Hazard Class8
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 769 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EPASR* United States Environmental Protection Agency, Office of Pesticides
   and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW,
   Washington, DC 20460)  History unknown.  Volume(issue)/page/year:
   8EHQ-0188-0714

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1410 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EPASR* United States Environmental Protection Agency, Office of Pesticides
   and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW,
   Washington, DC 20460)  History unknown.  Volume(issue)/page/year:
   8EHQ-0188-0714

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

其他信息

  • Sigma Aldrich:565-74-2(sigmaaldrich)
  • 类别:有毒物质
  • 海关编码:29159080
  • Acros Organics:2-溴-3-甲基丁酸 2-Bromo-3-methylbutyric acid, 98%(565-74-2)
  • 毒性分级:中毒
  • 可燃性危险特性:热分解排出有毒溴化物蒸汽
  • MOL 文件:565-74-2.mol
  • 灭火剂:水,干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 下游产品:氟胺氰菊酯 --> 2-溴戊酸
  • TCI Shanghai:2-溴异戊酸 2-Bromoisovaleric Acid,>;90.0%(GC)(565-74-2)
  • 用途一:用作有机合成中间体
  • 急性毒性:口服-大鼠 LD50: 769 毫克/公斤; 皮肤-大鼠 LD50: 1410 毫克/公斤
  • 上游原料:氢氧化钾溶液 --> 2-溴丙烷 --> 溴丙二酸 --> 异丙基丙二酸二乙酯
  • 储运特性:库房通风低温干燥
  • 方法一:异丙基丙二酸二乙酯用氢氧化钾溶液皂化,得到的异丙基丙二酸,再与溴反应生成异丙基溴丙二酸,后者加热至125-130℃,逸尽二氧化碳,即为2-溴-3-甲基丁酸。
  • MSDS 信息:2-Bromo-3-methylbutanoic acid(565-74-2).msds
  • 2-溴代异戊酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0668 2-溴异戊酸 2-Bromoisovaleric Acid 500G 5270元 2014/06/02 B0668 2-溴异戊酸 2-Bromoisovaleric Acid 25G 520元 2010/06/21 268880250 2-溴代异戊酸 2-Bromo-3-methylbutyric acid 98% 25 GR 807元
  • Alfa Aesar:2-溴异戊酸,99% 2-Bromoisovaleric acid, 97%(565-74-2)

系列性分类


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