Methyl 4-chlorobenzoate 4-氯苯甲酸甲酯
CAS 1126-46-1 MFCD00000621
化学结构图
SMILES: COC(=O)c1ccc(Cl)cc1
化学属性
| Mol. Formula | C8H7ClO2 |
|---|---|
| Mol. Weight | 170.59 |
| Melting Point | 42-44°C |
| Density | 1.382 |
| Flash Point | 106°(222°F) |
| TSCA | Yes |
| Boiling Point | 136-137 °C at 10 mmHg |
别名和识别编码
| Chemical Name | Methyl 4-chlorobenzoate |
|---|---|
| CAS Number | 1126-46-1 |
| Alfabeta Name | METHYLCHLOROBENZOATE 4- |
| MDL Number | MFCD00000621 |
| PubChem Substance ID | 14307 |
| EC Number | 214-420-9 |
| Beilstein Registry Number | 1564310 |
| Reaxys-RN | 1564310 |
| Merck Number | 2125 |
| Synonym | Methyl 4-chlorobenzoate {LY} Methyl 4-chlorobenzoate {} {LY} Methyl 4-chlorobenzoate {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} { {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| Chemical Name Translation | 4-氯苯甲酸甲酯 |
| LabNetwork Molecule ID | LN00005120 |
| InChI | InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
| Canonical SMILES | O=C(OC)C1=CC=C(Cl)C=C1 |
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分类
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
- {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
- Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
相关文献及参考
- Beil. 9 ,340
- FT-IR 2 (2), 2841:A / FT-IR 1 (2), 295:B / FT-NMR 1 (2), 1249:B / IR-Spectra (3), 1029:A / NMR-Reference 2 (2), 286:B / RegBook 1 (2), 1903:N / Structure Index 1 , 305:D:1 / Vapor Phase 3 , 1362:D
- Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
- Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; ch
安全信息
GHS Symbol
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
其他信息
- TCI Shanghai:4-氯苯甲酸甲酯 Methyl 4-Chlorobenzoate,>;98.0%(GC)(1126-46-1)
- MOL 文件:1126-46-1.mol
- Sigma Aldrich:1126-46-1(sigmaaldrich)
- 下游产品:1,2,3-苯并噻二唑-5-羧酸
- Alfa Aesar:4-氯苯甲酸甲酯,99% Methyl 4-chlorobenzoate, 99%(1126-46-1)
- 对氯苯甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1625 4-氯苯甲酸甲酯 Methyl 4-Chlorobenzoate 25G 230元 2010/05/25 A10109 4-氯苯甲酸甲酯, 99% Methyl 4-chlorobenzoate, 99% 25g 298元 2010/05/25 A10109 4-氯苯甲酸甲酯, 99% Methyl 4-chlorobenzoate, 99% 100g 888元
