p-Toluenethiol 对甲苯硫酚

CAS 106-45-6 MFCD00004851

化学结构图

106-45-6
SMILES: Cc1ccc(S)cc1

化学属性

Mol. FormulaC₇H₈S
Mol. Weight124.2
Density1.049
Vapor Density6.2 (vs air)
Boiling Point
Vapor Pressure10 mmHg ( 71 °C)
Melting PointNo Data Available
Flash Point68°(154°F)
Solubility不溶于水，溶于乙醇，易溶于乙醚。
TSCAYes
Stability恶臭

别名和识别编码

Chemical Namep-Toluenethiol
CAS Number106-45-6
EC Number203-399-1
Beilstein Registry Number605761
MDL NumberMFCD00004851
Synonym 4-Methylbenzenethiol {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {}
PubChem Substance ID7811
Merck Number9325
Chemical Name Translation对甲苯硫酚
Reaxys-RN605761
Wiswesser Line NotationSHR D1
LabNetwork Molecule IDLN00223553
InChIInChI=1S/C7H8S/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
Canonical SMILESSC1=CC=C(C)C=C1
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分类

  • {SA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiols/Mercaptans
  • {SNA} Chain Transfer Agents, Polymer Science, Reagents for Polymerization, 材料科学
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; thiol; 1fragment

相关文献及参考

  • Short: II/27B
  • Merck:14,9325
  • Merck:14,9325 Beilstein:6(4)2153
  • Short: III/35C1

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 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
  • 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；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R36 Irritating to eyes 刺激眼睛
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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。
  • 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。
  • 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+P350
  • P302+P352
  • P304+P340+P311
  • P305+P351+P338
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+P313
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSXT8925000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes 6.1 Xn
Packing GroupIII
UN Number 2811
Storage condition 4 Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H301+H311+H331
Hazard Class6.1
Warnings 危化品目录(2015) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

Restrict 危险品

其他信息

  • MSDS 信息:对甲苯硫酚(106-45-6).msds
  • 急性毒性:腹腔- 小鼠 LD50: 200 毫克/ 公斤
  • 爆炸物危险特性:对皮肤,角膜有腐蚀性
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放。
  • 4-甲苯硫酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010053 对甲苯硫酚 100g 350元 2011/04/16 T0290 对甲苯硫酚 p-Toluenethiol 25G 270元 2011/04/16 T0290 对甲苯硫酚 p-Toluenethiol 500G 2020元
  • 敏感性:Stench
  • 海关编码:29309070
  • Acros Organics:对甲基苯硫酚 p-Toluenethiol, 98%(106-45-6)
  • F:13
  • MOL 文件:106-45-6.mol
  • 类别:腐蚀物品
  • 用途二:用于合成染料、医药等
  • Alfa Aesar:对甲苯硫酚,98% p-Thiocresol, 98%(106-45-6)
  • 蒸气压:10 mm Hg ( 71 °C)
  • TCI Shanghai:对甲苯硫酚 p-Toluenethiol,>;97.0%(GC)(106-45-6)
  • 蒸气密度:6.2 (vs air)
  • Hazard Note:Harmful/Stench
  • 灭火剂:砂土、泡沫、二氧化碳、雾状水
  • 图谱信息:4-甲苯硫酚(106-45-6)核磁图( 1 HNMR) 4-甲苯硫酚(106-45-6)红外图谱(IR2) 4-甲苯硫酚(106-45-6)核磁图( 13 CNMR) 4-甲苯硫酚(106-45-6)红外图谱(IR3) 4-甲苯硫酚(106-45-6)红外图谱(IR1) 4-甲苯硫酚(106-45-6)质谱(MS)
  • 用途一:用于有机合成
  • 下游产品:5-甲基-1-苯并噻吩-2-甲醛
  • 毒性分级:高毒
  • 外观性质:白色固体。
  • Sigma Aldrich:106-45-6(sigmaaldrich)
  • 可燃性危险特性:可燃; 燃烧时放出有毒硫氧化物气体
  • 微溶于水。溶于乙醇和醚

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. 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. Thiol/Mercaptan Salts
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Polymers
  4. Polymer Additives

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