Tetrachloro-o-Benzoquinone 邻四氯苯醌
CAS 2435-53-2 MFCD00001646
化学结构图
SMILES: O=C1C(=O)C(Cl)=C(Cl)C(Cl)=C1Cl
化学属性
| Mol. Formula | C6Cl4O2 |
|---|---|
| Mol. Weight | 245.86 |
| Density | 1.422 |
| Melting Point | 125-129 °C |
| Solubility | 不溶 |
| Appearance | 深红色结晶。熔点131-132℃。 |
| Boiling Point | 164.7 °C at 760 mmHg |
别名和识别编码
| Chemical Name | Tetrachloro-o-Benzoquinone |
|---|---|
| Synonym | 3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione {LY} 3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione {} {LY} 3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione {} {} {LY} 3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione {} {} {} {LY} 3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione {} {} {} {} {LY} 3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione {} {} {} {} {} {LY} 3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione {} {} {} {} {} {} {LY} 3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione {} {} {} {} {} {} {} {LY} 3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione {} {} {} {} {} {} {} {} {} {LY} 3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3,4,5,6-Tetrachlorocyclohexa-3,5-diene-1,2-dione {} {} {} {} {} {} {} {} {} |
| CAS Number | 2435-53-2 |
| EC Number | 219-424-4 |
| Beilstein Registry Number | 7,602 |
| MDL Number | MFCD00001646 |
| PubChem Substance ID | 87576782 |
| Reaxys-RN | 1309782 |
| Chemical Name Translation | 邻四氯苯醌 |
| LabNetwork Molecule ID | LN00335097 |
| InChI | InChI=1S/C6Cl4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
| Canonical SMILES | ClC1=C(Cl)C(=O)C(=O)C(Cl)=C1Cl |
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分类
- {SNA} Bioactive Small Molecules, Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks, T, 细胞生物学
- {SNA} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
- {SNA} Bioactive Small Molecules, Building Blocks, C3 to C6, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Ketones, Organic Building Blocks, T
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; 1fragment
相关文献及参考
- Short: II/25D Title: Structure Data of Free Polyatomic Molecules: Molecules Containing Five or More Carbon Atoms Author: Graner, G.; Hirota, E.; Iijima, T.; Kuchitsu, K.; Ramsay, D.A.; Vogt, J.; Vogt, N. Editor: Kuchitsu, K. Source: Landolt-Börnstein, New Series Volume: II/25D Year: 2003 Keyword: Free Polyatomic Molecules; Carbon Atoms; Molecules ISBN: 3-540-42860-7 ISBN: 978-3-540-42860-2 Internet Resource: DOI:10.1007/b75952 RefComment: VIII, 569 pages. Hardcover RefComment: Written for scientists and researchers in the fields of chemistry and physics Abstract: This fourth subvolume presents data on the geometric parameters (internuclear distances, bond angles, dihedral angles of internal rotation etc) of free polyatomic molecules including free radicals and molecular ions. The survey on structure data consists of four subvolumes, each containing the geometric parameters determined in the gas phase either by an analysis of the rotational constants (and sometimes the vibrational constants) obtained from microwave, infrared, Raman, electronic and photoelectron spectroscopy or by an analysis of electron diffraction intensities. Most of the structures listed in the tables are for molecules in the electronic ground state, but structures for electronically excited states have also been included as far as they are available. In this fourth subvolume, the structure of molecules containing five to sixty carbon atoms is listed.
- Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different br
安全信息
GHS Symbol
- 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 Wear suitable protective clothing 穿戴适当的防护服；
- S37 Wear suitable gloves 戴适当手套；
- S22 Do not breathe dust 不要吸入粉尘；
- S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
- S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
- R50/53
- R20 Harmful by inhalation 吸入有害
- 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
- P305+P351+P338+P337+P313
- P302+P350
- P304+P340
- P273 Avoid release to the environment. 避免释放到环境中。
- P302+P352
- P302+P352+P332+P313+P362+P364
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
其他信息
- 上游原料:五氯苯酚
- Sigma Aldrich:2435-53-2(sigmaaldrich)
- MOL 文件:2435-53-2.mol
- 图谱信息:邻四氯苯醌(2435-53-2)质谱(MS) 邻四氯苯醌(2435-53-2)红外图谱(IR2) 邻四氯苯醌(2435-53-2)红外图谱(IR1)
- 海关编码:29147090
- TCI Shanghai:邻四氯苯醌 o-Chloranil,>;95.0%(T)(2435-53-2)
- MSDS 信息:3,4,5,6-Tetrachloro-1,2-benzoquinone(2435-53-2).msds
- Acros Organics:四氯邻苯醌 Tetrachloro-o-benzoquinone, 97%(2435-53-2)
- 用途一:避孕药氯地孕酮的原料。
- 邻四氯苯醌价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0970 邻四氯苯醌 o-Chloranil 5G 483元 2014/06/02 T0970 邻四氯苯醌 o-Chloranil 25G 1540元 2010/06/21 137990050 邻四氯苯醌 Tetrachloro-o-benzoquinone 97% 5 GR 432元
- 方法一:五氯酚在氯仿中与硝酸反应得到。将干燥的五氯酚混悬于氯仿中，于15-17℃慢慢加入硝酸，20-25℃反应半小时，加水，降温至10℃以下，过滤，滤液静置分去水层，用水洗氯仿层至pH6-7，减压回收氯仿至干，加苯0.4倍，加热溶解，再加汽油0.4倍，冷却，过滤，用冷的苯-汽油洗涤，再用苯-汽油重结晶，得四氯邻苯醌。
