Bromoacetic Acid 溴乙酸

CAS 79-08-3 MFCD00002678

化学结构图

79-08-3
SMILES: O=C(O)CBr

化学属性

Mol. FormulaC2H3BrO2
Mol. Weight138.95
Density1.93
Flash Point>110°C
SolubilitySoluble in water, alcohol
TSCAYes
Boiling Point208
Melting Point49-51
Stability易吸潮,对空气和光线敏感
pH:A

别名和识别编码

Chemical NameBromoacetic Acid
CAS Number79-08-3
Synonym 2-Bromoacetic acid {LY} 2-Bromoacetic acid BROMOACETIC ACID IN ETHYLENEGLYCOL Bromo-acetic acid Bromoethanoic acid Carboxymethyl bromide Monobromessigsäure Monobromoacetic acid a-Bromessigsäure acidebromacetique alpha-Bromoacetic acid alpha-Bromoethanoic acid bromoacetic {} {LY} 2-Bromoacetic acid {} {} {LY} 2-Bromoacetic acid {} {} {} {LY} 2-Bromoacetic acid {} {} {} {} {LY} 2-Bromoacetic acid {} {} {} {} {} {LY} 2-Bromoacetic acid {} {} {} {} {} {} {LY} 2-Bromoacetic acid {} {} {} {} {} {} {} {LY} 2-Bromoacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromoacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromoacetic acid {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromoacetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromoac
EC Number201-175-8
Beilstein Registry Number2,213
MDL NumberMFCD00002678
Reaxys-RN506167
Merck Number1400
PubChem Substance ID6227
Alfabeta NameBROMOACETICACID 2-
Chemical Name Translation溴乙酸
Wiswesser Line NotationQV1E
LabNetwork Molecule IDLN00182149
InChIInChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)
Canonical SMILESO=C(O)CBr
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分类

  • {SNA} A-B, Alpha Sort, Analytical Standards, Analytical/Chromatography, Applications, B, Bioactive Small Molecules, Bromo, Cell Biology, Chemical Class, Chromatography, Disinfection Byproducts, Disinfection Product Residues and Solvents, Environmental Standards, Food & Beverage Analysis, Halogenated, Processing/Packaging Contaminants, Volatiles/ Semivolatiles, Waste water
  • 500 Series Drinking Water Methods, Analytical Standards, Analytical/Chromatography, Bromo, Chemical Class, EPA,
  • {SNA} Acids,

产品应用

  • 用于有机合成。

相关文献及参考

  • Short: II/27B
  • Reaction with a dialkyl phosphite followed by an aldehyde has been used in a convenient one-pot synthesis of acrylic acids: J. Org. Chem., 46, 2514 (1981). For examples with reaction schemes, see Chloroacetic acid, A11482 and 2-Bromopropionic acid, A17569.
  • Short: II/14a
  • Merck: 14,1400
  • Merck: 14,1400 Beilstein:2,213

安全信息

Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H315 Causes skin irritation 会刺激皮肤
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H331 Toxic if inhaled 吸入中毒
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H301 Toxic if swallowed 吞食有毒
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
Hazard Codes 8 T,C,N T,C,N,Xi,F
GHS Symbol
WGK Germany3
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter 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
Signal word Danger
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • 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;
  • 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);
  • 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
  • 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
  • R35 Causes severe burns 会导致严重灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R43 May cause sensitisation by skin contact 皮肤接触会产生过敏反应
  • R50 Very toxic to aquatic organisms 对水生生物极毒
Precautionary statements
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • 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。
  • 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。
  • 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+P310
  • P301+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P308+P313
  • 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。
  • P403+P233
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSAF5950000
UN Number 3425
Storage condition 2-8°C {LY} 2-8°C Light Sensitive & Hygroscopic {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
Packing GroupII
Warnings IRRITANT 危险化学品
Hazard Class8
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - rigidity (including catalepsy)
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: OTS0555280

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 100 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-0191-1149S

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - dog
DOSE/DURATION           : >48 mg/kg
TOXIC EFFECTS :
   Behavioral - ataxia
   Gastrointestinal - hypermotility, diarrhea
   Gastrointestinal - nausea or vomiting
REFERENCE :
   APTOA6 Acta Pharmacologica et Toxicologica.  (Copenhagen, Denmark)  V.1-59,
   1945-86.  For publisher i

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 114 gm/m3/30M
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RPTOAN Russian Pharmacology and Toxicology (English Translation).
   Translation of FATOAO.  (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey,
   UK)  V.30-    1967-  Volume(issue)/page/year: 41,113,1978

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - mouse Leukocyte
DOSE/DURATION           : 100 umol/L
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   30,1497,1981

其他信息

  • 用途二:溴乙酸是制备ω-溴-2,4-二氯苯乙酮的原料,后者是制备抑霉唑、丙环唑等三唑类杀菌剂的中间体。
  • 外观性质:无色结晶,易潮解。
  • F:3-19-23
  • Acros Organics:溴乙酸 Bromoacetic acid in ethyleneglycol, ca. 10% BrCH2CO2H, 35% glycol balance ester(79-08-3)
  • Sigma Aldrich:79-08-3(sigmaaldrich)
  • 用途三:有机合成中间体。用于农药和医药的生产中。还可生产其酯类。
  • 下游产品:溴乙酸乙酯 --> 苯并噻吩 --> 3-羧甲基绕丹宁 --> 7-羟基-4-甲基香豆素-3-乙酸 --> 2-甲基巯基嘧啶-5-甲醛 --> 2-乙基-5-嘧啶甲醛 --> 2-甲氧基-5-醛基嘧啶 --> 2-氨基-5-嘧啶甲醛 --> 溴乙酸甲酯 --> 齐拉西酮 --> 七氟烷 --> 2-(1-吡咯烷基)乙酸 --> 溴乙酰氯
  • MSDS 信息:溴乙酸(79-08-3).msds
  • 方法二:1.以醋酸为原料,在吡啶存在下滴加溴素进行反应制取之。2.由氯乙酸与氢溴酸反应而得。3.由羟乙酸与氢溴酸反应而得。
  • 急性毒性:腹注- 大鼠 LD50: 50 毫克/ 公斤; 口服- 小鼠 LD50: 100 毫克/ 公斤
  • 储运特性:库房通风低温干燥; 与氧化剂、碱类分开存放。
  • 上游原料:溴 --> 乙酐
  • 可燃性危险特性:可燃; 加热排放有毒溴化物烟雾
  • 易吸湿潮解。易溶于水、丙酮和乙醇,溶于乙醚,实际上不溶于正庚烷。溶解度:900 g/100ml 水(25°C),900g/100g甲醇(25°C), ether-900g/100g醚, benzene-308g/100g苯,168g/100g四氯化碳。
  • Hazard Note:Toxic/Corrosive
  • 类别:腐蚀物品
  • 方法一:在乙酐和无水乙酸的混合物中以吡啶作溶剂与溴作用而得。反应方程式:CH 3 COOH+Br 2 →BrCH 2 COOH+HBr
  • MOL 文件:79-08-3.mol
  • 图谱信息:溴乙酸(79-08-3)红外图谱(IR3) 溴乙酸(79-08-3)红外图谱(IR1) 溴乙酸(79-08-3)Raman光谱 溴乙酸(79-08-3)红外图谱(IR2)
  • TCI Shanghai:溴乙酸 Bromoacetic Acid,>;98.0%(T)(79-08-3)
  • 用途一:用于有机合成
  • 灭火剂:砂土、泡沫、雾状水、二氧化碳
  • 毒性分级:高毒
  • 溴乙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80019026 溴乙酸;溴代乙酸;一溴乙酸;溴醋酸 100g 165.5元 2011/04/16 B0531 溴乙酸 Bromoacetic Acid 25G 185元 2011/04/16 B0531 溴乙酸 Bromoacetic Acid 500G 930元
  • Alfa Aesar:溴乙酸,98+% Bromoacetic acid, 98+%(79-08-3)

系列性分类