3-Chloro-1-phenylpropan-1-one 3'-氯代苯丙酮

CAS 936-59-4 MFCD00000990

化学结构图

936-59-4
SMILES: O=C(CCCl)c1ccccc1

化学属性

Mol. FormulaC9H9ClO
Mol. Weight168.62
Density1.422
Flash Point>110°(230°F)
TSCAYes
Boiling Point113-115 °C at 4 mmHg
Melting Point48-50 °C
Solubility不溶

别名和识别编码

Chemical Name3-Chloro-1-phenylpropan-1-one
CAS Number936-59-4
Synonym 3-Chloropropiophenone {LY} 3-Chloropropiophenone {} {LY} 3-Chloropropiophenone {} {} {LY} 3-Chloropropiophenone {} {} {} {LY} 3-Chloropropiophenone {} {} {} {} {LY} 3-Chloropropiophenone {} {} {} {} {} {LY} 3-Chloropropiophenone {} {} {} {} {} {} { {} {} {} {} {} {} {LY} 3-Chloropropiophenone {} {} {} {} {} {} {} {LY} 3-Chloropropiophenone {} {} {} {} {} {} {} {} {LY} 3-Chloropropiophenone {} {} {} {} {} {} {} {} {} {LY} 3-Chloropropiophenone {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloropropiophenone {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloropropiophenone {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloropropiophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloropropiophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Chloropropiophenone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number213-317-6
Beilstein Registry Number2043580
MDL NumberMFCD00000990
PubChem Substance ID70295
Reaxys-RN2043580
Chemical Name Translation3'-氯代苯丙酮
InChIKeyKTJRGPZVSKWRTJ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00227079
InChIInChI=1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
Canonical SMILESO=C(C1=CC=CC=C1)CCCl
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分类

  • {SNA} Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • Intermediates
  • Aromatics
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
  • Impurities

产品应用

  • 3-Chloropropiophenone is an impurity of Fluoxetine (F597100).

相关文献及参考

  • Short: EINECS
  • Wirth, D.D. et al.: Chromatographia, 46, 511 (1997); Lacroix, P.M. et al.: J. AOAC Int., 78, 334 (1995);
  • Short: III/20b
  • Precursor of phenyl vinyl ketone.

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • 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。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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
  • P332+P313
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P305+P351+P338+P337+P313
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes Xi
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • MOL 文件:936-59-4.mol
  • Acros Organics:3-氯苯丙酮 3-Chloropropiophenone, 95%(936-59-4)
  • 图谱信息:3-氯代苯丙酮(936-59-4)核磁图( 13 CNMR) 3-氯代苯丙酮(936-59-4)红外图谱(IR2) 3-氯代苯丙酮(936-59-4)红外图谱(IR1) 3-氯代苯丙酮(936-59-4)质谱(MS) 3-氯代苯丙酮(936-59-4)核磁图( 1 HNMR)
  • 3-氯代苯丙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0995 3-氯苯丙酮 3-Chloropropiophenone 25G 220元 2010/06/21 369980500 3-氯代苯丙酮 3-Chloropropiophenone 90%, tech. 50 GR 1884元 2010/06/21 369980100 3-氯代苯丙酮 3-Chloropropiophenone 90%, tech. 10 GR 565元
  • 用途二:医药中间体，也可用于其他有机合成
  • MSDS 信息:3-Chloro-1-phenyl-1-propanone(936-59-4).msds
  • 下游产品:4,7-二苯基-1,10-菲罗啉
  • Alfa Aesar:3-氯苯丙酮,96% 3-Chloropropiophenone, 96%(936-59-4)
  • Sigma Aldrich:936-59-4(sigmaaldrich)
  • TCI Shanghai:3-氯苯丙酮 3-Chloropropiophenone,>;96.0%(GC)(936-59-4)
  • 用途一:用于合成药物安非他酮

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. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C9 - 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. C9 - 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. Aromatic 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 酮
  6. C7 to C8