2-Bromo-2'-chloroacetophenone 2-溴-2'-氯苯乙酮

CAS 5000-66-8 MFCD00832993

化学结构图

5000-66-8
SMILES: O=C(CBr)c1ccccc1Cl

化学属性

Mol. FormulaC8H6BrClO
Mol. Weight233.49
Melting PointOil
Density1.602 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.590(lit.)
Flash Point>110°C
TSCANo
Boiling Point248.9°C at 760 mmHg

别名和识别编码

Chemical Name2-Bromo-2'-chloroacetophenone
CAS Number5000-66-8
Alfabeta NameBROMOCHLOROPHENYLETHANONE 2121()------
MDL NumberMFCD00832993
Synonym 2-Bromo-1-(2-chlorophenyl)ethan-1-one {LY} 2-Bromo-1-(2-chlorophenyl)ethan-1-one {} {LY} 2-Bromo-1-(2-chlorophenyl)ethan-1-one {} {} {LY} 2-Bromo-1-(2-chlorophenyl)ethan-1-one {} {} {} {LY} 2-Bromo-1-(2-chlorophenyl)ethan-1-one {} {} {} {} {LY} 2-Bromo-1-(2-chlorophenyl)ethan-1-one {} {} {} {} {} {LY} 2-Bromo-1-(2-chlorophenyl)ethan-1-one {} {} {} {} {} {} {LY} 2-Bromo-1-(2-chlorophenyl)ethan-1-one {} {} {} {} {} {} {} {LY} 2-Bromo-1-(2-chlorophenyl)ethan-1-one {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(2-chlorophenyl)ethan-1-one {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(2-chlorophenyl)ethan-1-one {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(2-chlorophenyl)ethan-1-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(2-chlorophenyl)ethan-1-one {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(2-chlorophenyl)ethan-1-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(2-chlorophenyl)ethan
PubChem Substance ID2735785
Chemical Name Translation2-溴-2'-氯苯乙酮
LabNetwork Molecule IDLN00003484
InChIInChI=1S/C8H6BrClO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2
Canonical SMILESClC1=CC=CC=C1C(CBr)=O
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分类

  • {KO} ReacBromides
  • Aromatics
  • {KO} Ketones
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

安全信息

Warnings IRRITANT
Packing GroupII
UN Number 2922 UN 2922 8/PG 2 UN1760
Risk Statements
  • R34 Causes burns 会导致灼伤
Safety Statements
  • 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；
  • 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；
  • 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）；
WGK Germany3
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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
  • P302+P361+P354
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P305+P354+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P316
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Hazard statements
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
GHS Symbol
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes C
Hazard Class8
Storage condition 2-8°C {LY} 2-8°C Keep Cold {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
1
Rotatable Bonds
2
H-bond Donors
0
LogP
2

其他信息

  • 用途一:医药中间体。
  • Sigma Aldrich:5000-66-8(sigmaaldrich)
  • Acros Organics:2-Bromo-2'-chloroacetophenone, 95%(5000-66-8)
  • 下游产品:3-(2-氯苯基)-5-氨基异噁唑 --> 氯丙那林
  • 敏感性:Lachrymatory
  • 方法一:由邻氯苯乙酮经溴化而得：将苯和邻氯苯乙酮加入反应锅中，搅拌下于室温加入一部分溴素，待反应液褪色后，再继续滴加溴，在反应开始时，根据反应情况也适当加热。溴素滴加完后，搅拌1h。加入冰水，搅拌后静置分层，取苯层用碳酸钠溶液洗涤，再用水洗。回收苯后即得α-溴代邻氯苯乙酮。
  • Hazard Note:Corrosive/Lachrymatory/Keep Cold
  • 上游原料:溴 --> 2'-氯苯基乙酮
  • 2-溴-2'-氯苯乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 SPB06335DA 2-溴-2'-氯苯乙酮 2-bromo-1-(2-chlorophenyl)ethan-1-one 1 GR 525元 2010/06/21 427890010 2-溴-2'-氯苯乙酮 2-Bromo-2'-chloroacetophenone 95% 1 GR 908元 2010/06/21 427890050 2-溴-2'-氯苯乙酮 2-Bromo-2'-chloroacetophenone 95% 5 GR 3101元
  • Alfa Aesar:2-溴-2'-氯苯乙酮,95% 2-Bromo-2'-chloroacetophenone, 95%(5000-66-8)
  • MOL 文件:5000-66-8.mol

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. Aryl 芳基卤代烃
  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. Ketones - Carbonyl Compounds
  6. C7 to C8 - Ketones
  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. Ketones - Carbonyl Compounds
  6. C7 to C8 - Ketones

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