Methyl 2-chlorobenzoate 2-氯苯甲酸甲酯
CAS 610-96-8 MFCD00016337
化学结构图
SMILES: COC(=O)c1ccccc1Cl
化学属性
| Mol. Formula | C8H7ClO2 |
|---|---|
| Mol. Weight | 170.59 |
| Boiling Point | 225.4°C at 760 mmHg |
| Density | 1.191 g/mL at 25 °C(lit.) |
| Refractive index | 1.5280 to 1.5320 |
| Flash Point | 108°C(lit.) |
| TSCA | Yes |
| Melting Point | 233-235 °C |
别名和识别编码
| Chemical Name | Methyl 2-chlorobenzoate |
|---|---|
| CAS Number | 610-96-8 |
| Alfabeta Name | METHYLCHLOROBENZOATE 2- |
| MDL Number | MFCD00016337 |
| PubChem Substance ID | 11895 |
| EC Number | 210-242-0 |
| Beilstein Registry Number | 9(4)957 |
| Reaxys-RN | 2042214 |
| Synonym | Methyl 2-chlorobenzoate {LY} Methyl 2-chlorobenzoate {} {LY} Methyl 2-chlorobenzoate {} {} {LY} Methyl 2-chlorobenzoate {} {} {} {LY} Methyl 2-chlorobenzoate {} {} {} {} {LY} Methyl 2-chlorobenzoate {} {} {} {} {} {LY} Methyl 2-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-chlorobenzoate {} {} {} {} {} {} {} {LY} Methyl 2-chlorobenzoate {} {} {} {} {} {} {} {} {LY} Methyl 2-chlorobenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 2-chlorobenzoate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-chlorobenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { |
| Chemical Name Translation | 2-氯苯甲酸甲酯 |
| LabNetwork Molecule ID | LN00158981 |
| InChI | InChI=1S/C8H7ClO2/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5H,1H3 |
| Canonical SMILES | O=C(OC)C1=CC=CC=C1Cl |
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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 ,IV,957
- 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; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Written for Science and engineers in the fields of phys
安全信息
GHS Symbol
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- P304+P340+P312
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- 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。
- P302+P352+P312+P362+P364
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- 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。
- P305+P351+P338+P337+P313
- P301+P312+P330
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- H302+H312+H332
其他信息
- TCI Shanghai:2-氯苯甲酸甲酯 2-Chlorobenzoic Acid Methyl Ester,>;95.0%(GC)(610-96-8)
- Alfa Aesar:2-氯苯甲酸甲酯,98% Methyl 2-chlorobenzoate, 98%(610-96-8)
- MOL 文件:610-96-8.mol
- Acros Organics:Methyl 2-chlorobenzoate, 98%(610-96-8)
- 下游产品:2-氯苯甲酰肼
- Hazard Note:Irritant
- 2-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 C1502 2-氯苯甲酸甲酯 Methyl 2-Chlorobenzoate 25G 396元 2010/05/25 A11237 2-氯苯甲酸甲酯, 98% Methyl 2-chlorobenzoate, 98% 500g 4634元 2010/05/25 A11237 2-氯苯甲酸甲酯, 98% Methyl 2-chlorobenzoate, 98% 25g 322元
