O-Phenyl Chlorothionoformate 硫代氯甲酸苯酯

CAS 1005-56-7 MFCD00004920

化学结构图

1005-56-7
SMILES: S=C(Cl)Oc1ccccc1

化学属性

Mol. FormulaC7H5ClOS
Mol. Weight172.63
Density1.248
Refractive index1.5800 to 1.5830
Boiling Point81-83 °C at 6 mmHg
Flash Point81°C
TSCANo
Solubility分解
Stability对湿度敏感
Melting Point51 °C

别名和识别编码

Chemical NameO-Phenyl Chlorothionoformate
CAS Number1005-56-7
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 Number213-736-4
Beilstein Registry Number774830
MDL NumberMFCD00004920
PubChem Substance ID87575332
Chemical Name Translation硫代氯甲酸苯酯
Reaxys-RN774830
InChIKeyKOSYAAIZOGNATQ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00010799
InChIInChI=1S/C7H5ClOS/c8-7(10)9-6-4-2-1-3-5-6/h1-5H
Canonical SMILESS=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

Signal word Danger
GHS Symbol
WGK Germany3
Safety Statements
  • 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）；
Risk Statements
  • R34 Causes burns 会导致灼伤
Precautionary statements
  • 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.....
Hazard statements
  • 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
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Packing GroupII
UN Number 3265 UN 3265 8/PG 2 UN3265
Storage condition 2-8°C {LY} 2-8°C Moisture Sensitive {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Codes 8 C
Hazard Class8

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

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiocarbonyl Compounds - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfoxides - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfoxides
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Sulfur Compounds for Organic Synthesis 有机合成硫化物

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