Bis(Phenylthio)Methane 双(苯硫基)甲烷

CAS 3561-67-9 MFCD00003067

化学结构图

3561-67-9
SMILES: c1ccc(SCSc2ccccc2)cc1

化学属性

Mol. FormulaC13H12S2
Mol. Weight232.36
Boiling Point194 °C at 8 mmHg
Melting Point34-37 °C
TSCANo
Flash Point113 ºC
Appearance 白色晶体。熔点36-38℃。溶于乙醇、乙醚。

别名和识别编码

Chemical NameBis(Phenylthio)Methane
CAS Number3561-67-9
Alfabeta NameBISPHENYLTHIOMETHANE ()
MDL NumberMFCD00003067
Synonym Bis(phenylthio)methane {LY} Bis(phenylthio)methane {} {LY} Bis(phenylthio)methane {} {} {LY} Bis(phenylthio)methane {} {} {} {LY} Bis(phenylthio)methane {} {} {} {} {LY} Bis(phenylthio)methane {} {} {} {} {} {LY} Bis(phenylthio)methane {} {} {} {} {} {} {LY} Bis(phenylthio)methane {} {} {} {} {} {} {} {LY} Bis(phenylthio)methane {} {} {} {} {} {} {} {} {LY} Bis(phenylthio)methane {} {} {} {} {} {} {} {} {} {LY} Bis(phenylthio)methane {} {} {} {} {} {} {} {} {} {} {LY} Bis(phenylthio)methane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Bis(phenylthio)methane {} {} {} {} {} {} {} {} {} {} {} {} {LY} Bis(phenylthio)methane {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Bis(phenylthio)methane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Bis(phenylthio)methane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Bis(phenylthio)methane {} {} {} {} {} {} {} {}
EC Number222-624-4
Beilstein Registry Number1874146
PubChem Substance ID77097
Reaxys-RN1874146
Chemical Name Translation双(苯硫基)甲烷
InChIKeyZHUPZVIALZHGGP-UHFFFAOYSA-N
LabNetwork Molecule IDLN00115500
InChIInChI=1S/C13H12S2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h1-10H,11H2
Canonical SMILESC1(SCSC2=CC=CC=C2)=CC=CC=C1
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfides/Disulfides, Sulfur Compounds
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, B, BI - BZ, Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfides/Disulfides, Sulfur Compounds, 分析/色谱
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, B, BI - BZ, Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfides/Disulfides, Sulfur Compounds

相关文献及参考

  • Acyl anion equivalent, compare 1,3-Dithiane, A10505. Can be metallated, e.g. with n-BuLi. Dimetallation requires a metal complexing agent, e.g. TMEDA, allowing dialkylation: Tetrahedron Lett., 21, 4763 (1980).
  • The products of addition of the lithio-derivative to aldehydes and ketones undergo a pinacol-type rearrangement with CuOTf, with insertion of a one-carbon unit adjacent to the carbonyl group: J. Am. Chem. Soc., 97, 4749 (1975); see also: Org. Synth. Coll., 6, 737 (1988). An alternative method utilizes an alkyllithium to effect a carbenoid rearrangement, which has been applied to ring expansion: Tetrahedron Lett., 28, 20 (1987):

安全信息

Warnings STENCH
Hazard Codes
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • 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；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
GHS Symbol
WGK Germany3
Precautionary statements
  • 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
  • P305+P351+P338+P337+P313
Hazard statements
  • 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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light RT, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from
UN Number
Packing GroupIII

其他信息

  • Sigma Aldrich:3561-67-9(sigmaaldrich)
  • MOL 文件:3561-67-9.mol
  • Acros Organics:Bis(phenylthio)methane, 97%(3561-67-9)
  • 用途一:有机合成中间体。
  • 上游原料:乙醇溶液 --> 苯硫酚 --> 二碘甲烷 --> 苯硫酚钠
  • 方法一:将苯硫酚溶于无水乙醇，加入氢氧化钠制成苯硫酚钠乙醇溶液，再加入二碘甲烷，控制温度不超过80℃。加料毕，加热回流1h。蒸出大部分乙醇，加水和乙醚溶解分层，乙醚层经碱洗、水洗、干燥，将乙醚蒸出则得粗品，用石油醚重结晶，得到成品双（苯硫基）甲烷，产率80%。
  • 图谱信息:二苯硫基甲烷 (3561-67-9)核磁图( 1 HNMR) 二苯硫基甲烷 (3561-67-9)核磁图( 13 CNMR) 二苯硫基甲烷 (3561-67-9)红外图谱(IR2) 二苯硫基甲烷 (3561-67-9)红外图谱(IR1) 二苯硫基甲烷 (3561-67-9)质谱(MS)
  • Alfa Aesar:双(苯硫基)甲烷,98% Bis(phenylthio)methane, 98+%(3561-67-9)
  • TCI Shanghai:二苯硫基甲烷 Bis(phenylthio)methane,>;97.0%(GC)(3561-67-9)
  • F:13

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. B - Alphabetic
  5. BI - BZ - B
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. B - Alphabetic
  5. BI - BZ - B
  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
  1. Analytical & Chromatography 分析化学与色谱
  2. HPLC
  3. Analytical Reagents
  1. Functional Group 官能团索引
  2. thioacetal

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