2-Bromopropionic 2-溴丙酸

CAS 598-72-1 MFCD00004211

化学结构图

598-72-1
SMILES: CC(Br)C(=O)O

化学属性

Mol. FormulaCH3CHBrCO2H
Mol. Weight153
Density1.7
Refractive index1.4740 to 1.4780
Flash Point100°C(lit.)
TSCAYes
Boiling Point203
Melting Point25
Solubility溶于水，溶于乙醇、乙醚等。

别名和识别编码

Chemical Name2-Bromopropionic
CAS Number598-72-1
EC Number209-947-6
Synonym (±)-2-溴丙酸 (+/-)-2-BROMOPROPIONIC ACID (±)-2-Brompropionsäure (±)-2-bromo-propionic acid (±)-α-Bromopropanoic acid 2-BROMOPROPIONIC ACID, 1000MG,NEAT 2-BROMOPROPIONIC ACID, 1X1ML, MTBE 1000U G/ML 2-bromopropanoic acid 2-溴代丙酸 DL-2-Bromopropionic acid DL-2-溴丙酸 Propionic acid, 2-bromo- {} {} {} {} {} {} {uni_hamburg} α-Brompropionsäure α-溴丙酸
MDL NumberMFCD00004211
Beilstein Registry Number605451
Reaxys-RN605451
PubChem Substance ID87563651
Chemical Name Translation2-溴丙酸
InChIKeyMONMFXREYOKQTI-UHFFFAOYSA-N
LabNetwork Molecule IDLN00239242
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分类

  • {SNA} Building Blocks, C1 to C5, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carboxylic acid; racemate; 1fragment
  • 500 Series Drinking Water Methods, A-B, Alpha Sort, Alphabetic, Analytical Standards, Analytical/Chromatography, B, BI - BZ, Chromatography, EPA, Environmental Standards, Method 552, Method Specific, Volatiles/ Semivolatiles
  • {Chemicalbook} 农药中间体: 除草剂中间体: 苯氧羧酸类和芳氧基苯氧基羧酸类除草剂

产品应用

  • 有机合成中间体，用于生产除草剂、草萘胺，合成医药中间体丙氨酸。

相关文献及参考

  • For a simplified variant of the reaction, applicable to the synthesis of ɑ-unsubstituted cinnamic acids, see Chloroacetic acid, A11482.
  • Short: III/35E
  • Short: III/20b
  • Reaction of ɑ-halo alkanoic acids with a dialkyl phosphite in the presence of NaH, followed by treatment of the resulting phosphonoacetate salt with an aldehyde (or cycloalkanone) provides a convenient one-pot alternative to the Knoevenagel or Horner-Wadsworth-Emmons reactions for the synthesis of a variety of substituted acrylic acids: J. Org. Chem., 46, 2514 (1981):
  • Beilstein:2,254

安全信息

Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H302 Harmful if swallowed 吞食有害
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Hazard Codes 8 C C,Xi,F
GHS Symbol
WGK Germany3
Signal word Danger
Safety Statements
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • 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）；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • 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
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
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。
  • 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。
  • 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
  • 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。
  • 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.....
RTECSUA2451715
UN Number 3261 3265
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Packing GroupII
Hazard Class8
Warnings 危化品目录(2015)
Restrict 危险品

其他信息

  • RTECS号:UA2451715
  • PackingGroup:II
  • 海关编码:29159080
  • NIST化学物质信息:2-Bromopropanoic acid(598-72-1)
  • 用途:有机合成中间体，用于生产除草剂、草萘胺，合成医药中间体丙氨酸。
  • MOL 文件:598-72-1.mol
  • EPA化学物质信息:Propanoic acid, 2-bromo-(598-72-1)
  • 外观性质:无色液体或固体。
  • 易溶于水、醇和醚。
  • 2-溴丙酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 80021724 2-溴丙酸 25ml 139元 2011/04/16 B0644 2-溴丙酸 2-Bromopropionic Acid 25G 197元 2011/04/16 B0644 2-溴丙酸 2-Bromopropionic Acid 500G 970元
  • HazardClass:8
  • 图谱信息:2-溴丙酸(598-72-1)红外图谱(IR1) 2-溴丙酸(598-72-1)质谱(MS) 2-溴丙酸(598-72-1)核磁图( 1 HNMR) 2-溴丙酸(598-72-1)核磁图( 13 CNMR) 2-溴丙酸(598-72-1)红外图谱(IR2)
  • 生产方法:由丙酸经溴化而得。将溴素慢慢加入含有三氯公磷的干燥丙酸中，温度保持在80℃，待溴加完后升温至85℃，待溴的颜色完全消失后升温至100℃，约2-3h，然后减压回收溴及氢溴酸至不出为止，再经减压蒸馏而得成品。

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  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
  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
  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. Carboxylic Acids - Carbonyl Compounds
  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. Carboxylic Acids - Carbonyl Compounds
  6. C1 to C5 - Carboxylic Acids
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. B - Alphabetic
  5. BI - BZ - B
  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. Carboxylic Acids

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