4-Chlorobutyrophenone 4-氯苯丁酮
CAS 939-52-6 MFCD00001005
化学结构图
SMILES: O=C(CCCCl)c1ccccc1
化学属性
| Mol. Formula | C10H11ClO |
|---|---|
| Mol. Weight | 182.65 |
| Density | 1.137 g/mL at 25 °C(lit.) |
| Melting Point | 19-20°C |
| Refractive index | n20/D 1.544(lit.) |
| Flash Point | >110°(230°F) |
| TSCA | No |
| Boiling Point | 130-133 °C4 mm Hg |
别名和识别编码
| Chemical Name | 4-Chlorobutyrophenone |
|---|---|
| Synonym | 4-Chloro-1-phenylbutan-1-one {LY} 4-Chloro-1-phenylbutan-1-one {} {LY} 4-Chloro-1-phenylbutan-1-one {} {} {LY} 4-Chloro-1-phenylbutan-1-one {} {} {} {LY} 4-Chloro-1-phenylbutan-1-one {} {} {} {} {} {} {} {} {LY} 4-Chloro-1-phenylbutan-1-one {} {} {} {} {} {LY} 4-Chloro-1-phenylbutan-1-one {} {} {} {} {} {} {LY} 4-Chloro-1-phenylbutan-1-one {} {} {} {} {} {} {} {LY} 4-Chloro-1-phenylbutan-1-one {} {} {} {} {} {} {} {} {LY} 4-Chloro-1-phenylbutan-1-one {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-1-phenylbutan-1-one {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-1-phenylbutan-1-one {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-1-phenylbutan-1-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-1-phenylbutan-1-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-1-phenylbutan-1-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Chloro-1-phenylbutan-1-one {} {} {} {} {} {} {} {} {} {} {} |
| Beilstein Registry Number | 878974 |
| PubChem Substance ID | 253533 |
| CAS Number | 939-52-6 |
| EC Number | 213-362-1 |
| MDL Number | MFCD00001005 |
| Chemical Name Translation | 4-氯苯丁酮 |
| InChIKey | XLCJPQYALLFIPW-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00205698 |
| InChI | InChI=1S/C10H11ClO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| Canonical SMILES | O=C(C1=CC=CC=C1)CCCCl |
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分类
- {SA} Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
- Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
相关文献及参考
- 1. J. Org. Chem. 52 , 1863, (1987)
- Beil. 7 ,IV,711
- FT-IR 1 (2), 21:C / RegBook 1 (2), 1633:K / Structure Index 1 , 256:C:2
安全信息
WGK Germany3
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Eyeshields, Gloves
Hazard Codes
Xi
UN Number
UN 2927 6.1/PG 1
Safety Statements
- S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Storage condition
2-8°C
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其他信息
- Sigma Aldrich:939-52-6(sigmaaldrich)
- 4-氯苯丁酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L06383 4-氯苯丁酮, 95% 4-Chlorobutyrophenone, 95% 5g 210元 2010/05/25 L06383 4-氯苯丁酮, 95% 4-Chlorobutyrophenone, 95% 25g 732元
- Alfa Aesar:4-氯苯丁酮,95% 4-Chlorobutyrophenone, 95%(939-52-6)
- 上游原料:盐酸 --> 乙酸乙酯 --> 甲醇 --> 乙醚 --> 硫酸 --> 二氯甲烷 --> 氧氯化硫 --> 碳酸氢钠 --> 苯 --> 氢化铝锂 --> 三氯化铝 --> 对甲苯磺酸 --> 氯化锌 --> 乙二醇 --> 丁二酸酐 --> gamma-丁内酯
- MOL 文件:939-52-6.mol
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