O-Phenyl Chlorothionoformate 硫代氯甲酸苯酯
CAS 1005-56-7 MFCD00004920
化学结构图
SMILES: S=C(Cl)Oc1ccccc1
化学属性
| Mol. Formula | C7H5ClOS |
|---|---|
| Mol. Weight | 172.63 |
| Density | 1.248 |
| Refractive index | 1.5800 to 1.5830 |
| Boiling Point | 81-83 °C at 6 mmHg |
| Flash Point | 81°C |
| TSCA | No |
| Solubility | 分解 |
| Stability | 对湿度敏感 |
| Melting Point | 51 °C |
别名和识别编码
| Chemical Name | O-Phenyl Chlorothionoformate |
|---|---|
| CAS Number | 1005-56-7 |
| Synonym | O-Phenyl chlorothioformate {LY} O-Phenyl chlorothioformate {} {LY} O-Phenyl chlorothioformate {} {} {LY} O-Phenyl chlorothioformate {} {} {} {LY} O-Phenyl chlorothioformate {} {} {} {} {LY} O-Phenyl chlorothioformate {} {} {} {} {} {LY} O-Phenyl chlorothioformate {} {} {} {} {} {} {LY} O-Phenyl chlorothioformate {} {} {} {} {} {} {} {LY} O-Phenyl chlorothioformate {} {} {} {} {} {} {} {} {LY} O-Phenyl chlorothioformate {} {} {} {} {} {} {} {} {} {LY} O-Phenyl chlorothioformate {} {} {} {} {} {} {} {} {} {} {LY} O-Phenyl chlorothioformate {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phenyl chlorothioformate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phenyl chlorothioformate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phenyl chlorothioformate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} O-Phenyl chlorothioformate |
| EC Number | 213-736-4 |
| Beilstein Registry Number | 774830 |
| MDL Number | MFCD00004920 |
| PubChem Substance ID | 87575332 |
| Chemical Name Translation | 硫代氯甲酸苯酯 |
| Reaxys-RN | 774830 |
| InChIKey | KOSYAAIZOGNATQ-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN00010799 |
| InChI | InChI=1S/C7H5ClOS/c8-7(10)9-6-4-2-1-3-5-6/h1-5H |
| Canonical SMILES | S=C(Cl)OC1=CC=CC=C1 |
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分类
- {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiocarbonyl Compounds
- {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
- Sulfur & Selenium Compounds
- Pharmaceuticals
- Intermediates & Fine Chemicals
- Intermediates
产品应用
- 用于无保护的胸腺嘧啶核苷的巯羰基化。形成保护性核糖核苷（可被三丁基氢化锡还原为脱氧核苷）的苯氧基硫代羰基酯。
相关文献及参考
- Reagent, alternative to chloroformates, for dealkylation of tertiary amines: Austral. J. Chem., 52, 841 (1999).
- Alcohols are converted to alkenes in better yields than in the Chugaev (xanthate pyrolysis) method, succeeding with hindered alcohols which do not readily form xanthates: J. Chem. Soc., Chem. Commun., 1215 (1972); Helv. Chim. Acta, 55, 2277 (1972). Secondary alcohols give thiocarbonate esters which can be reduced to alkanes by tributyltin hydride, in a useful deoxygenation sequence. For use in an enantiospecific synthesis of the antiviral agent ganciclovir phosphonate, see: J. Med. Chem., 37, 1371 (1994).
- Alcohols are converted to alkenes in better yields than in the Chugaev (xanthate pyrolysis) method, succeeding with hindered alcohols which do not readily form xanthates: J. Chem. Soc., Chem. Commun., 1215 (1972); Helv. Chim. Acta, 55, 2277 (1972). Secondary alcohols give thiocarbonate esters which can be reduced to alkanes by tributyltin hydride, in a useful deoxyg
- Aryl chlorothionoformates react with OH groups to give thiocarbonate esters. These have a much greater tendency to undergo cyclic elimination than their oxygen counterparts, with dehydration as the net result. Thus, e.g. oximes are dehydrated to nitriles under mild conditions: Chem. Commun., 1014 (1970):
- Short: III/20b
- Vanheusden, V. et al.: J. Med. Chem., 47, 6187 (2004);
- Short: EINECS
- Reagent for conversion of imidazoles to imidazole-2-thiones: Synlett, 239 (1995).
- Similarly, amides are dehydrated to nitriles, and formamides to isonitriles under mild conditions: Tetrahedron Lett., 40, 747 (1999).
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；
- S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
- S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
- R34 Causes burns 会导致灼伤
- P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
- P234 Keep only in original container. 只保留在原来的容器中。
- P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/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。
- 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。
- P301+P330+P331
- P301+P330+P331+P310
- P303+P361+P353
- P303+P361+P353+P310+P363
- P304+P340
- P304+P340+P310
- P305+P351+P338
- P305+P351+P338+P310
- P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
- P390 Absorb spillage to prevent material damage. 吸收溢出物，防止重大损害。
- P403+P235
- P405 Store locked up. 上锁保管。
- P406 Store in corrosive resistant/… container with a resistant inner liner. 存放在耐腐蚀/具有耐性的内衬容器。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
- H227 Combustible liquid 可燃液体
- H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
其他信息
- Acros Organics:硫代氯甲酸苯酯 Phenyl chlorothionocarbonate, 99%(1005-56-7)
- 海关编码:29309070
- 硫代氯甲酸苯酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P1236 硫代氯甲酸苯酯 Phenyl Chlorothionoformate 5G 924元 2014/06/02 P1236 硫代氯甲酸苯酯 Phenyl Chlorothionoformate 25G 2890元 2010/06/21 215490050 硫代氯甲酸苯酯 Phenyl chlorothionocarbonate 99% 5 GR 846元
- 图谱信息:硫代氯甲酸苯酯(1005-56-7)核磁图( 13 CNMR) 硫代氯甲酸苯酯(1005-56-7)质谱(MS) 硫代氯甲酸苯酯(1005-56-7)红外图谱(IR1) 硫代氯甲酸苯酯(1005-56-7)核磁图( 1 HNMR)
- Alfa Aesar:氯化硫代甲酸苯酯,98+% Phenyl chlorothionoformate, 98+%(1005-56-7)
- MSDS 信息:Phenyl chlorothionocarbonate(1005-56-7).msds
- MOL 文件:1005-56-7.mol
- F:10-21
- Sigma Aldrich:1005-56-7(sigmaaldrich)
- TCI Shanghai:硫代氯甲酸-O-苯酯 Phenyl Chlorothionoformate,>;98.0%(GC)(1005-56-7)
- 敏感性:Moisture Sensitive
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