Diphenyl sulfide 二苯硫醚

CAS 139-66-2 MFCD00003064

化学结构图

139-66-2
SMILES: C1CCC(SC2CCCCC2)CC1

化学属性

Mol. FormulaC12H10S
Mol. Weight186.27
Density1.113
Refractive index1.6310 to 1.6360
Boiling Point296 °C at 760 mmHg
Melting Point-40 °C
Flash Point126°C(lit.)
TSCAYes
Solubility不溶
Appearance 无色液体。熔点约40℃，沸点295-297℃，相对密度（15/15℃）1.1185，折光率（nD18）1.6350。能与苯、醚、二硫化碳混碳，溶于热醇，不溶于水。

别名和识别编码

Chemical NameDiphenyl sulfide
Synonym Diphenylsulfane {LY} Diphenylsulfane {} {LY} Diphenylsulfane {} {} {LY} Diphenylsulfane {} {} {} {LY} Diphenylsulfane {} {} {} {} {LY} Diphenylsulfane {} {} {} {} {} {LY} Diphenylsulfane {} {} {} {} {} {} {LY} Diphenylsulfane {} {} {} {} {} {} {} {LY} Diphenylsulfane {} {} {} {} {} {} {} {} {LY} Diphenylsulfane {} {} {} {} {} {} {} {} {} {LY} Diphenylsulfane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diphenylsulfane {} {} {} {} {} {} {} {} {} {} {} {LY} Diphenylsulfane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diphenylsulfane {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diphenylsulfane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diphenylsulfane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Diphenylsulfane {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}
CAS Number139-66-2
EC Number205-371-4
Beilstein Registry Number1907932
MDL NumberMFCD00003064
PubChem Substance ID8766
Merck Number7314
Reaxys-RN1907932
Chemical Name Translation二苯硫醚
Wiswesser Line NotationRSR
LabNetwork Molecule IDLN00226444
InChIInChI=1S/C12H10S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H
Canonical SMILESC1(SC2=CC=CC=C2)=CC=CC=C1
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfides/Disulfides, Sulfur Compounds
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; sulfide; 1fragment

产品应用

  • 用于有机合成。

相关文献及参考

  • Short: II/25D
  • Merck: 14,7314 Beilstein:6,299
  • Merck: 14,7314
  • Short: II/27B

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • S28 After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) 皮肤接触后，立即用大量…（由生产厂家指定）冲洗；
  • 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；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
  • R38 Irritating to skin 刺激皮肤
  • R50/53
Precautionary statements
  • 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。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • 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。
  • P301+P312+P330
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P332+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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H413 Maycauselonglastingharmfuleffectstoaquaticlife 可能对水生生物造成长期持续有害影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSSX2275000
Hazard Codes 9
UN Number 3082
Packing GroupIII
Hazard Class9 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 490 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIHAAP American Industrial Hygiene Association Journal.  (AIHA, 475 Wolf
   Ledges Pkwy., Akron, OH 44311)  V.19-    1958-  Volume(issue)/page/year:
   23,95,1962

Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitro

其他信息

  • 方法一:将858g无水苯和464g三氯化铝混合，冷却到10℃，搅拌下加入405.1g氯化硫和390g苯配成的溶液。反应立即开始，逸出氯化氢，析出黄色粘稠的三氯化铝络合物。反应毕，将反应混合物冰析。分出苯层，蒸除苯后的深色油状物冷至0℃，滤除析出的硫。再将油状物溶于甲醇，冷却至0℃，再滤除析出硫。甲醇溶液在回收甲醇后继续蒸除少量低沸点馏分。然后收集155-170℃（2.39kPa）馏分，即为粗品。粗品用锌粉、氢氧化钠加热处理，水洗，干燥，最后进行减压蒸馏，得450-464g二苯硫醚。
  • 方法二:氯苯法---以氯苯为起始原料，有与硫反应的方法和与硫化氢反应的方法。
  • Acros Organics:苯硫醚 Phenyl sulfide, 99%(139-66-2)
  • 用途三:用于合成2，4-二氯苯酚，除草醚、2，4-滴、EPBP、毒克散、格螨酯等农药；医药方面用于合成硫双二氯酚等。
  • 图谱信息:二苯硫醚(139-66-2)Raman光谱 二苯硫醚(139-66-2)核磁图( 13 CNMR) 二苯硫醚(139-66-2)核磁图( 1 HNMR) 二苯硫醚(139-66-2)红外图谱(IR1) 二苯硫醚(139-66-2)质谱(MS)
  • 用途二:用于有机合成。
  • 下游产品:2,4-二氯酚 --> 2-氯噻吨酮 --> 2-氯-9-[3-(二甲基氨基)丙基]噻吨-9-醇 --> 4-羟基硫代香豆素 --> 硝酸芬替康唑
  • 二苯硫醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0230 二苯硫醚 Phenyl Sulfide 500G 785元 2014/06/02 P0230 二苯硫醚 Phenyl Sulfide 25G 185元 2010/06/21 130951000 二苯硫醚 Phenyl sulfide 99% 100 ML 1262元
  • MOL 文件:139-66-2.mol
  • 能与苯、醚、二硫化碳混碳，溶于热醇，不溶于水。
  • Sigma Aldrich:139-66-2(sigmaaldrich)
  • 上游原料:锌粉 --> 甲醇溶液 --> 二氯化二硫 --> 无水苯
  • 敏感性:Stench
  • TCI Shanghai:二苯硫醚 Phenyl Sulfide,>;98.0%(GC)(139-66-2)
  • 用途一:用作农药、医药、染料中间体
  • Alfa Aesar:二苯硫醚,98% Diphenyl sulfide, 98%(139-66-2)
  • Hazard Note:Harmful/Stench
  • F:13

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. Sulfides/Disulfides - 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. Sulfides/Disulfides - 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. Thiols/Mercaptans - 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. Sulfenyl Halides