Ethyl Bromopyruvate 3-溴丙酮酸乙酯
CAS 70-23-5 MFCD00000204
化学结构图
SMILES: CCOC(=O)C(=O)CBr
化学属性
| Mol. Formula | C5H7BrO3 |
|---|---|
| Mol. Weight | 195 |
| Boiling Point | 98-100 °C/10 mmHg(lit.) |
| Refractive index | n20/D 1.469(lit.) |
| Density | 1.554 g/mL at 25 °C(lit.) |
| Flash Point | 98°(208°F) |
| TSCA | Yes |
| Appearance | 无色液体。沸点71-73℃（0.67kPa），98-100℃（1.33kPa），相对密度1.554，折光率1.4695，闪点89℃。 |
| Stability | 对湿度敏感 |
| Solubility | Soluble in water (partly). |
别名和识别编码
| Chemical Name | Ethyl Bromopyruvate |
|---|---|
| CAS Number | 70-23-5 |
| Alfabeta Name | ETHYLBROMOPYRUVATE |
| MDL Number | MFCD00000204 |
| PubChem Substance ID | 66144 |
| EC Number | 200-729-6 |
| Beilstein Registry Number | 1760158 |
| Synonym | 3-溴丙酮酸乙酯, tech. 90% Bromopyruvic acid ethyl 3-bromo-2-oxo-propanoicaciethylester 溴代丙酮酸乙酯78﹪ 3-Bromo-2-oxopropanoic acid ethyl ester ETHYL3-BROMO-2-OXOPROPANOATE(ETHYLBROMOPYRUVATE) 3-溴丙酮酸乙酯, TECH Bromopyruvic acid ethyl ester Ethyl 3-bromopyruvate; Bromopyruvic acid ethyl ester Propanoic acid, 3-bromo-2-oxo-, ethyl ester beta-Bromopyruvic acid ethyl ester 溴代丙酮酸乙酯 2-Oxo-3-bromopropanoic acid ethyl ester ETHYL BROMOPYRUVATE Ethylbromopyruvate (Tech) Pyruvic acid, bromo-, ethyl ester 溴丙酮酸乙酯 ETHYL 3-BROMOPYRUVATE ETHYL 3-BROMO-2-OXOPROPANOATE 3-溴丙酮酸乙酯 BROMOPYRUVIC ACID ETHYL ESTER Ethyl 3-bromopyruvate, tech. 90% Ethyl 3-bromo-2-oxopropanoat 乙基溴乙酸酯(溴代丙酮酸乙酯) 3-Bromo-2-oxopropionic acid ethyl ester 乙基溴乙酸酯 溴代丙酮酸乙酯(80%) |
| Chemical Name Translation | 3-溴丙酮酸乙酯 |
| InChIKey | VICYTAYPKBLQFB-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00169364 |
| InChI | InChI=1S/C5H7BrO3/c1-2-9-5(8)4(7)3-6/h2-3H2,1H3 |
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分类
- Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
- {SNA} Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
产品应用
- 该品为药物心得静的中间体。用于由伯胺和二硫化碳合成硫代四氢噻唑
相关文献及参考
- 1. Chin. J. Chem. 24 , 381, (2006)
- Beil. 3 ,IV,1519
- Aldrich MSDS 1 , 888:A / Corp MSDS 1 (1), 1583:C / FT-IR 1 (1), 685:A / FT-IR 2 (1), 1148:A / IR-Spectra (3), 400:G / IR-Spectra (2), 354:B / NMR-Reference 2 (1), 577:A / RegBook 1 (1), 785:E / Sigma FT-IR 1 (2), 346:A / Structure Index 1 , 122:B:7
安全信息
GHS Symbol
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
- 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 Toxic by inhalation and in contact with skin 吸入及皮肤接触都有毒
- R33 Danger of cumulative effects 有累积作用的危险
- R34 Causes burns 会导致灼伤
- 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；
- 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；
- 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；
- 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；
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
其他信息
- 用途二:该品为药物心得静的中间体。
- 方法一:由乳酸乙酯经氧化、溴化而得。
- Sigma Aldrich:70-23-5(sigmaaldrich)
- 检测方法:GC
- Alfa Aesar:3-溴丙酮酸乙酯,tech.90% Ethyl 3-bromopyruvate, tech. 90%(70-23-5)
- 上游原料:乳酸乙酯
- 海关编码:29183000
- F:8-9-21
- 下游产品:2-(3-哌啶)-1-,3-4-钠酸甲酯 --> 4-羟基吲哚 --> 叔丁基4-(4-甲酸基-1,3-噻唑-2-基)哌啶-1-甲酸酯 --> 2-苯基-1,3-噻唑-4-甲醛 --> 2-苯基-1,3-噻唑-4-羰酰氯 --> 咪唑并[1,2-A!吡啶-2-羧酸 --> 4-(氯甲基)噻唑-2-胺 --> 2-甲基噻唑-4-甲酸乙酯 --> 2-甲基-1,3-噻唑-4-羧酸 --> 2-苯基-4-羟甲基噻唑 --> 4-氧杂-4,5,6,7-四氢苯并[B]呋喃-3-羧酸 --> 1,5,6,7-四氢-4H-吲哚-4-酮
- Hazard Note:Irritant
- MOL 文件:70-23-5.mol
- MSDS 信息:Ethyl bromopyruvate(70-23-5).msds
- Acros Organics:溴丙酮酸乙酯 Ethyl bromopyruvate, 80-85%(70-23-5)
- 用途一:用作医药中间体、药用原料
- 3-溴丙酮酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 118150250 3-溴丙酮酸乙酯 Ethyl bromopyruvate 80-85% 25 ML 992元 2010/06/21 118150050 3-溴丙酮酸乙酯 Ethyl bromopyruvate 80-85% 5 ML 329元 2010/06/21 118151000 3-溴丙酮酸乙酯 Ethyl bromopyruvate 80-85% 100 ML 2790元
