4'-Chloro-2-Bromoacetophenone 2-溴-4-氯苯乙酮

CAS 536-38-9 MFCD00000625

化学结构图

536-38-9
SMILES: O=C(CBr)c1ccc(Cl)cc1

化学属性

Mol. FormulaC8H6BrClO
Mol. Weight233.49
Melting Point95-99°C
TSCAYes
Density1.422
Flash Point143°C
Appearance 白色结晶粉末。熔点75℃℃，沸点195-196℃。
Boiling Point289.7°C at 760 mmHg

别名和识别编码

Chemical Name4'-Chloro-2-Bromoacetophenone
CAS Number536-38-9
Alfabeta NameBROMOCHLOROPHENYLETHANONE 214()----
MDL NumberMFCD00000625
Synonym 2-Bromo-1-(4-chlorophenyl)ethanone {LY} 2-Bromo-1-(4-chlorophenyl)ethanone {} {LY} 2-Bromo-1-(4-chlorophenyl)ethanone {} {} {LY} 2-Bromo-1-(4-chlorophenyl)ethanone {} {} {} {LY} 2-Bromo-1-(4-chlorophenyl)ethanone {} {} {} {} {LY} 2-Bromo-1-(4-chlorophenyl)ethanone {} {} {} {} {} {LY} 2-Bromo-1-(4-chlorophenyl)ethanone {} {} {} {} {} {} {LY} 2-Bromo-1-(4-chlorophenyl)ethanone {} {} {} {} {} {} {} {LY} 2-Bromo-1-(4-chlorophenyl)ethanone {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(4-chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(4-chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(4-chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(4-chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(4-chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(4-chlorophenyl)ethanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Bromo-1-(4-chlorophenyl)
EC Number208-631-5
Beilstein Registry Number7,285
PubChem Substance ID68303
Merck Number2153
Reaxys-RN607603
Chemical Name Translation2-溴-4-氯苯乙酮
LabNetwork Molecule IDLN00010336
InChIInChI=1S/C8H6BrClO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
Canonical SMILESC1=C(C=CC(=C1)Cl)C(CBr)=O
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分类

  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • Liedtke, A., et al.: J. Med. Chem., 52, 4968 (2009),
  • Short: III/20b Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei Cl ... Rb Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20b Year: 1988 Keyword: NQR ISBN: 3-540-18483-X ISBN: 978-3-540-18483-6 Internet Resource: DOI:10.1007/b86664 RefComment: IX,717 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: III/31a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cu Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/31a Year: 1993 Keyword: NQR ISBN: 3-540-55146-8 ISBN: 978-3-540-55146-1 Internet Resource: DOI:10.1007/b43999 RefComment: VIII, 437 pages. Hardcover Abstract: Volume III/31 continues the compilation of nuclear quadrupole resonance spectroscopy data of solid substances which started in with volume III/20 in 1987 covering the literature from the beginning of nuclear quadrupole resonance spectroscopy in 1951 to 1982 and containing the data for 8000 substances in the solid state, distributed among three subvolumes III/20 a, b, and c. Volume III/31 covers the literature published in the period from the end of 1982 through the end of 1989. Included are the data for substances studied for the first time, as well as data for substances already present in the previous volume III/20 if the data published there could be completed or improved by new studies. In total there are 2500 substances in volume III/31, show

安全信息

Warnings IRRITANT
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）；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • S2637/39
Risk Statements
  • 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
  • R22 Harmful if swallowed 吞咽有害
Signal word
GHS Symbol
WGK Germany2
Precautionary statements
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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
  • 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。
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • 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。
  • P305+P351+P338+P310
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P301+P330+P331+P310
  • P303+P361+P353
  • P304+P340
Hazard statements
  • H290 May be corrosive to metals 可能腐蚀金属。
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
RTECSAM5978800
Personal Protective Equipment 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
Packing GroupIII
UN Number UN 3261 8/PG 2 3261
Hazard Codes C C,Xi
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >2 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MEXPAG Medicina Experimentalis.  (Basel, Switzerland)  V.1-11, 1959-64;
   V.18-19, 1968-69.  For publisher information, see JNMDBO.
   Volume(issue)/page/year: 11,137,1964

其他信息

  • 图谱信息:4-氯二苯甲酮(134-85-0)红外图谱(IR2) 4-氯二苯甲酮(134-85-0)红外图谱(IR1) 4-氯二苯甲酮(134-85-0)核磁图( 13 CNMR) 4-氯二苯甲酮(134-85-0)质谱(MS) 4-氯二苯甲酮(134-85-0)核磁图( 1 HNMR)
  • 毒性分级:中毒
  • 上游原料:三氯化铝 --> 苯甲酰氯 --> 4-氯苯甲酰氯
  • Acros Organics:2-溴-4'-氯苯乙酮 2-Bromo-4'-chl
  • 用途一:有机合成中间体。
  • Hazard Note:Irritant
  • 灭火剂:水, 二氧化碳, 干粉, 砂土
  • Sigma Aldrich:134-85-0(sigmaaldrich)
  • 可燃性危险特性:可燃, 燃烧时分解有毒氯化物和溴化物气体
  • 4-氯二苯甲酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1485 4-氯二苯甲酮 4-Chlorobenzophenone 25G 143元 2014/06/02 C1485 4-氯二苯甲酮 4-Chlorobenzophenone 500G 831元 2014/06/02 C0136 4-氯二苯甲酮 4-Chlorobenzophenone 25G 245元
  • MOL 文件:134-85-0.mol
  • Alfa Aesar:2-溴-4'-氯苯乙酮,98% 2-Bromo-4'-chloroacetophenone, 98%(536-38-9)
  • 下游产品:5-氨基-3-(4-氯苯基)异恶唑
  • Sigma Aldrich:536-38-9(sigmaaldrich)
  • {Chemicalb
  • 方法一:可由氯苯与溴乙酰氯在三氯化铝存在下反应而得。或由对氯苯乙酮溴化而得。
  • alpha-溴代-4-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 2014/06/02 B0568 4-氯苯甲酰甲基溴 4-Chlorophenacyl Bromide 25G 477元 2014/06/02 B0568 4-氯苯甲酰甲基溴 4-Chlorophenacyl Bromide 500G 3840元 2010/06/21 146361000 alpha-溴代-4-氯苯乙酮 2-Bromo-4'-chloroacetophenone 98+% 100 GR 1225元
  • 图谱信息:alpha-溴代-4-氯苯乙酮(536-38-9)质谱(MS) alpha-溴代-4-氯苯乙酮(536-38-9)核磁图( 13 CNMR) alpha-溴代-4-氯苯乙酮(536-38-9)红外图谱(IR2) alpha-溴代-4-氯苯乙酮(536-38-9)核磁图( 1 HNMR) alpha-溴代-4-氯苯乙酮(536-38-9)Raman光谱 alpha-溴代-4-氯苯乙酮(536-38-9)红外图谱(IR1)
  • TCI Shanghai:4-氯二苯甲酮 4-Chlorobenzophenone,>;98.0%(GC)(134-85-0)
  • Hazard Note:Corrosive/Lachrymatory/Keep Cold
  • 类别:有毒物质
  • 用途一:用作医药、农药中间体
  • 方法一:由苯甲酰氯与氯苯缩合而得：在干燥的反应锅内，加入氯苯和无水三氯化铝，搅拌升温至50℃，滴加苯甲酰氯。加毕，在100-110℃下反应5.5h，慢慢加入微酸性的冰水中，搅匀后静置，分去上层清液，甩滤，水洗至中性，甩干，得4-氯双苯酮。
  • Alfa Aesar:4-氯二苯甲酮,99% 4-Chlorobenzophenone, 99%(134-85-0)
  • TCI Shanghai:α-溴代-4-氯苯乙酮 4-Chlorophenacyl Bromide,>;98.0%(GC)(T)(536-38-9
  • {Chemicalbo

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
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Oximes - Nitrogen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Nitrogen Compounds 氮化合物
  5. Organic Nitrates/Nitrites
  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 酮
  6. C3 to C6
  1. Functional Group 官能团索引
  2. oxime