Benzenepropanoyl chloride 3-苯丙酰氯

CAS 645-45-4 MFCD00000748

化学结构图

645-45-4
SMILES: O=C(Cl)CCc1ccccc1

化学属性

Mol. FormulaC9H9ClO
Mol. Weight168.62
Density1.135
Refractive index1.5250 to 1.5290
Boiling Point232°C at 760 mmHg
Melting Point-7°C
Flash Point108°C
TSCAYes
Appearance 无色或微黄液体，溶于苯，遇水或醇分介，密度1.135，折光率1.5279, 沸点225°C分解 107°C/1500Pa

别名和识别编码

Chemical NameBenzenepropanoyl chloride
CAS Number645-45-4
EC Number211-443-6
Beilstein Registry Number742586
MDL NumberMFCD00000748
Synonym Hydrocinnamoyl chloride {LY} Hydrocinnamoyl chloride {} {LY} Hydrocinnamoyl chloride {} {} {LY} Hydrocinnamoyl chloride {} {} {} {LY} Hydrocinnamoyl chloride {} {} {} {} {LY} Hydrocinnamoyl chloride {} {} {} {} {} {LY} Hydrocinnamoyl chloride {} {} {} {} {} {} {LY} Hydrocinnamoyl chloride {} {} {} {} {} {} {} {LY} Hydrocinnamoyl chloride {} {} {} {} {} {} {} {} {LY} Hydrocinnamoyl chloride {} {} {} {} {} {} {} {} {} {LY} Hydrocinnamoyl chloride {} {} {} {} {} {} {} {} {} {} {LY} Hydrocinnamoyl chloride {} {} {} {} {} {} {} {} {} {} {} {LY} Hydrocinnamoyl chloride {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hydrocinnamoyl chloride {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hydrocinnamoyl chloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hydrocinnamoyl chloride {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hydrocinnamoyl chloride {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87571065
Chemical Name Translation3-苯丙酰氯
Reaxys-RN742586
InChIKeyMFEILWXBDBCWKF-UHFFFAOYSA-N
LabNetwork Molecule IDLN00115171
InChIInChI=1S/C9H9ClO/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
Canonical SMILESO=C(Cl)CCC1=CC=CC=C1
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分类

  • {SNA} Acid Halides, Building Blocks, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks

相关文献及参考

  • Beilstein:9,511
  • The 3-phenylpropionate (dihydrocinnamoyl) ester has been used as a protecting group in nucleoside synthesis: Tetrahedron Lett., 733 (1969). It can be cleaved enzymatically with ɑ-chymotrypsin at pH 7.8; acetate esters are unaffected: J. Org. Chem., 38, 977; 3575 (1973).

安全信息

Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • 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
  • R14 Reacts violently with water 遇水会猛烈反应
  • R20 Harmful by inhalation 吸入有害
  • R29 Contact with water liberates toxic gas. 遇水释放出有毒气体
  • 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
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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P304+P340+P312
  • 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。
  • P311 Call a POISON CENTER or doctor/physician. 呼叫解毒中心或医生/医师。
  • P314 Get medical advice/attention if you feel unwell. 获取医疗咨询/就医，如果你觉得不舒服
  • 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。
  • P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
  • P403+P233
  • 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.....
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
  • H331 Toxic if inhaled 吸入中毒
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSMW5652395
Packing GroupII
UN Number 3265 UN 3265 8/PG 2 UN3265
Storage condition 2-8°C {LY} 2-8°C Moisture Sensitive {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Codes 8 C
Hazard Class8 
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 6,221,1954

其他信息

  • color:deep greenish-yellow
  • 海关编码:29163900
  • 用途二:用于医药中间体，有机合成。
  • 水中分解，溶于醚。
  • 检测方法:GC
  • 存储注意事项:湿度敏感
  • MOL 文件:645-45-4.mol
  • 用途一:用作医药中间体，也用于有机合成
  • F:10-21
  • MSDS 信息:3-Phenylpropionyl chloride(645-45-4).msds
  • 氢化肉桂酰氯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0696 3-苯丙酰氯 3-Phenylpropionyl Chloride 25G 636元 2010/06/21 134381000 氢化肉桂酰氯 Hydrocinnamoyl chloride 98% 100 GR 2462元 2010/06/21 134380250 氢化肉桂酰氯 Hydrocinnamoyl chloride 98% 25 GR 753元
  • TCI Shanghai:3-苯基丙酰氯 3-Phenylpropionyl Chloride,>;97.0%(GC)(T)(645-45-4)
  • Alfa Aesar:3-苯基丙酰氯,98% 3-Phenylpropionyl chloride, 98%(645-45-4)
  • 图谱信息:氢化肉桂酰氯(645-45-4)红外图谱(IR1) 氢化肉桂酰氯(645-45-4)核磁图( 13 CNMR) 氢化肉桂酰氯(645-45-4)质谱(MS) 氢化肉桂酰氯(645-45-4)核磁图( 1 HNMR)
  • Sigma Aldrich:645-45-4(sigmaaldrich)
  • Acros Organics:氢肉桂酰氯 Hydrocinnamoyl chloride, 98%(645-45-4)
  • 敏感性:Moisture Sensitive

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
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Inorganic Salts - Synthetic Reagents
  4. Sodium - Inorganic Salts
  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. Acid Halides 酸性卤化物(酰氯等)
  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. Alkyl 烷基卤代烃
  1. Acyl halide
  2. acyl chloride

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