Methyl bromoacetate 溴乙酸甲酯

CAS 96-32-2 MFCD00000189

化学结构图

96-32-2
SMILES: COC(=O)CBr

化学属性

Mol. FormulaC3H5BrO2
Mol. Weight153
Refractive index1.4550 to 1.4590
Boiling Point51-52
Density1.616
Flash Point63°C(lit.)
TSCAYes
Melting Point-50°
SolubilitySoluble in water (very slightly), methanol, ether, and acetone

别名和识别编码

Chemical NameMethyl bromoacetate
CAS Number96-32-2
PubChem Substance ID60984
EC Number202-499-2
Beilstein Registry Number506256
MDL NumberMFCD00000189
Reaxys-RN506256
Synonym Acetic acid, bromo-, methyl ester BAM BROMOACETIC ACID METHYL ESTER Bromessigsäuremethylester Bromo-acetic acid methyl ester Bromoacetic acid methyl ester Carbomethoxymethyl bromide METHYL 2-BROMOACETATE METHYL BROMOACETATE Methyl a-bromoacetate Methyl bomoacetate Methyl bromoacetate Methyl bromoacetate, 97+% Methyl α-bromoacetate Methylbromacetat Methylester kyseliny bromoctove bromo-aceticacimethylester methylesterkyselinybromoctove 溴乙酸甲酯, 98+% 溴代醋酸甲酯 溴醋酸甲酯
Wiswesser Line NotationE1VO1
LabNetwork Molecule IDLN00193876
Chemical Name Translation溴乙酸甲酯
InChIInChI=1S/C3H5BrO2/c1-6-3(5)2-4/h2H2,1H3
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • 500 Series Drinking Water Methods, Analytical Standards, Analytical/Chromatography, Bromo, Chemical Class, EPA, Halogenated, Method 552, Method Specific
  • {SNA} Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

产品应用

  • Methyl bromoacetate was used in the synthesis of novel coumarins. It was also employed in the synthesis of cis-cyclopropanes

相关文献及参考

  • Beilstein:2,213
  • Short: II/27B
  • Addition of the organozinc derivative to nitriles (Blaise reaction), gives ß-amino acrylates, which can be hydrolyzed to ß-keto esters. For conditions allowing the use of hindered nitriles, see: J. Org. Chem., 48, 3833 (1983):
  • The reaction with aldehydes in the presence of zinc and tri-n-butylphosphine gives ɑß-unsaturated esters directly: Tetrahedron Lett., 29, 6119 (1988).
  • For further reactions of ɑ-bromo esters, see Ethyl­ bromoacetate, A10448.

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H315 Causes skin irritation 会刺激皮肤
  • H300 Fatal if swallowed 吞食致命
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 6.1 T T,Xi,F
RTECSAF6300000
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。
  • P301+P310
  • P301+P330+P331+P310
  • 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。
  • 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
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • 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）；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
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
  • R25 Toxic if swallowed 吞咽有毒
  • R34 Causes burns 会导致灼伤
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R37 Irritating to respiratory system 刺激呼吸道
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
UN Number 2643 UN2643
Packing GroupII
Hazard Class6.1
Storage condition Store at R.T. 对光敏感
Warnings 危化品目录(2015) 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 15800 ug/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: 6,138,1954

Restrict 危险品

其他信息

  • Sigma Aldrich:96-32-2(sigmaaldrich)
  • Alfa Aesar:溴乙酸甲酯,98+% Methyl bromoacetate, 98+%(96-32-2)
  • MOL 文件:96-32-2.mol
  • 灭火剂:泡沫、雾状水、砂土、干粉
  • 上游原料:四氯化碳 --> 溴乙酸
  • 急性毒性:静脉- 小鼠 LDL0: 15.8 毫克/ 公斤
  • 检测方法:GC,NMR
  • TCI Shanghai:溴乙酸甲酯 Methyl Bromoacetate,>;95.0%(GC)(96-32-2)
  • 类别:有毒物品
  • 外观性质:无色至黄色液体，有吸湿性。
  • MSDS 信息:溴乙酸甲酯(96-32-2).msds
  • 溶于甲醇、乙醚、丙酮和苯，实际上不溶于水。
  • Acros Organics:溴乙酸甲酯 Methyl bromoacetate, 99%(96-32-2)
  • 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
  • 用途三:用作有机合成中间体，杀虫剂、除霉剂的溶剂。
  • 海关编码:29159080
  • 用途二:用于有机合成
  • 溴乙酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010389 溴乙酸甲酯;溴醋酸甲酯 50ml 219元 2011/04/16 B0533 溴乙酸甲酯 Methyl Bromoacetate 25G 218元 2011/04/16 B0533 溴乙酸甲酯 Methyl Bromoacetate 500G 1340元
  • 下游产品:吲哚-2-羧酸甲酯 --> 4-氯苯氧基乙酰氯 --> 3-吗啉酮 --> 6-三氟甲基吲哚-2-羧酸甲酯 --> 二甲基氨基氯化氢
  • 用途一:用作有机合成中间体和溶剂
  • F:19
  • 毒性分级:高毒
  • 凝固点:<-50℃
  • 方法一:由乙酸溴化后再与甲醇进行酯化反应而得。将冰醋酸、乙酐、赤磷和几片沸石加入干燥反应器，加热回流，当温度升至60-70℃时开始缓缓滴加溴素，加完后保温约1h。冷却过滤，然后减压蒸馏得溴乙酸。将溴乙酸和甲醇加入四氯化碳中，再加入硫酸，加热回流脱水，脱水完毕，将四氯化碳蒸出，再加入甲醇回流1h，回收甲醇，剩余物经洗涤、干燥后进行减压蒸馏，即得成品。
  • 图谱信息:溴乙酸甲酯(96-32-2)Raman光谱 溴乙酸甲酯(96-32-2)质谱(MS) 溴乙酸甲酯(96-32-2)核磁图( 13 CNMR) 溴乙酸甲酯(96-32-2)红外图谱(IR1)
  • 可燃性危险特性:明火可燃; 高热放出有毒溴化物气体

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. Halogenated Hydrocarbons 卤代烃
  5. Alkyl 烷基卤代烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C2 to C5 - Esters
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Method Specific - Analytical Standards
  4. EPA - Method Specific
  5. 500 Series Drinking Water Methods - EPA
  6. Method 552 - 500 Series Drinking Water Methods
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters
  6. C12 to C63