4 5-Dichlorocatechol 4,5-二氯邻苯二酚
CAS 3428-24-8 MFCD00463757
化学结构图
SMILES: Oc1cc(Cl)c(Cl)cc1O
化学属性
| Mol. Formula | C6H4Cl2O2 |
|---|---|
| Mol. Weight | 179.00 |
| Melting Point | 110-115 °C |
| Boiling Point | 255.02 °C at 760 mmHg |
别名和识别编码
| Chemical Name | 4 5-Dichlorocatechol |
|---|---|
| CAS Number | 3428-24-8 |
| Synonym | 4,5-Dichlorocatechol {LY} 4,5-Dichlorocatechol {} {LY} 4,5-Dichlorocatechol {} {} {LY} 4,5-Dichlorocatechol {} {} {} {LY} 4,5-Dichlorocatechol {} {} {} {} {LY} 4,5-Dichlorocatechol {} {} {} {} {} {LY} 4,5-Dichlorocatechol {} {} {} {} {} {} {LY} 4,5-Dichlorocatechol {} {} {} {} {} {} {} {LY} 4,5-Dichlorocatechol {} {} {} {} {} {} {} {} {LY} 4,5-Dichlorocatechol {} {} {} {} {} {} {} {} {} {LY} 4,5-Dichlorocatechol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5-Dichlorocatechol {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5-Dichlorocatechol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5-Dichlorocatechol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5-Dichlorocatechol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5-Dichlorocatechol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,5-Dichlorocatechol {} {} {} {} {} {} |
| MDL Number | MFCD00463757 |
| PubChem Substance ID | 18909 |
| EC Number | 222-331-1 |
| Chemical Name Translation | 4,5-二氯邻苯二酚 |
| Wiswesser Line Notation | QR BQ DG EG |
| Beilstein Registry Number | 2086136 |
| LabNetwork Molecule ID | LN01271472 |
| InChI | InChI=1S/C6H4Cl2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H |
| Canonical SMILES | OC1=CC(Cl)=C(Cl)C=C1O |
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分类
- Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; alcohol; 1fragment
- {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds, Polyols
产品应用
- Intermediate in the preparation of Dioxin derivatives.
相关文献及参考
- Liu, G., et al.: J. Chem. Res., 6, 342 (2009),
- 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 physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. The spectral lines of the nuclei are highly influenced by the chemical environment i.e. the structure and interaction of the molecules. NMR is now the leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who intend to use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei 11B and 31P, subvolume III/35B contains the nuclei 19F and 15N, subvolume III/35C contains the nucleus 1H, subvolume III/35D contains the nucleus 13C, subvolume III/35E contains the nucleus 17O, and subvolume III/35G contains the nucleus 77Se. More nuclei will be presented later.
- Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Ye
安全信息
GHS Symbol
- 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。
- P273 Avoid release to the environment. 避免释放到环境中。
- 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。
- P302+P352
- P304+P340
- P305+P351+P338
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P332+P313
- P337+P313
- 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
- P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- 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
- H400 Verytoxictoaquaticlife 对水生生物毒性非常大。
- 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；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 42 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07864
TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Yeast - Saccharomyces cerevisiae DOSE/DURATION : 75 mg/L REFERENCE : MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 119,273,1983
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