4-Methoxythiophenol 4-甲氧基苯硫酚

CAS 696-63-9 MFCD00004849

化学结构图

696-63-9
SMILES: COc1ccc(S)cc1

化学属性

Mol. FormulaC7H8OS
Mol. Weight140.20
Boiling Point100-103 °C at 13 mmHg
Density1.14 g/mL at 25 °C(lit.)
Refractive index1.5830 to 1.5860
Flash Point96°C(lit.)
TSCANo
Stability对空气敏感
pH:A
Melting Point42°C

别名和识别编码

Chemical Name4-Methoxythiophenol
CAS Number696-63-9
Alfabeta NameMETHOXYBENZENETHIOL 4-
MDL NumberMFCD00004849
Synonym 4-Methoxybenzenethiol {LY} 4-Methoxybenzenethiol {} {LY} 4-Methoxybenzenethiol {} {} {LY} 4-Methoxybenzenethiol {} {} {} {LY} 4-Methoxybenzenethiol {} {} {} {} {LY} 4-Methoxybenzenethiol {} {} {} {} {} {LY} 4-Methoxybenzenethiol {} {} {} {} {} {} {LY} 4-Methoxybenzenethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzenethiol {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzenethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzenethiol {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzenethiol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzenethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzenethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzenethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzenethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxybenzenethiol {} {} {} {} {} {} {} {} {} {} {}
EC Number211-799-2
Beilstein Registry Number6(4)5790
PubChem Substance ID87573289
Chemical Name Translation4-甲氧基苯硫酚
Reaxys-RN1446910
InChIKeyNIFAOMSJMGEFTQ-UHFFFAOYSA-N
Wiswesser Line NotationSHR DO1
LabNetwork Molecule IDLN00170226
InChIInChI=1S/C7H8OS/c1-8-6-2-4-7(9)5-3-6/h2-5,9H,1H3
Canonical SMILESSC1=CC=C(OC)C=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ether; thiol; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiols/Mercaptans

相关文献及参考

  • Short: II/27B
  • Short: III/35E
  • Beilstein:6(4)5790

安全信息

Warnings IRRITANT, STENCH
Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • 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；
  • 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；
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
  • R22 Harmful if swallowed 吞咽有害
  • 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
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。
  • P301+P310+P330
  • P302+P350
  • P302+P352+P312+P361+P364
  • P304+P340+P311
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P332+P313
  • P337+P313
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSDC1800000
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air Sensitive {} {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
Hazard statements
  • H301+H311+H331
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • H312 Harmful in contact with skin 皮肤接触有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xn Xn,Xi
UN Number 2810 UN 2810 6.1/PG 3
Packing GroupIII
Hazard Class6.1 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#04701

其他信息

  • Alfa Aesar:4-甲氧基硫代苯酚,97% 4-Methoxythiophenol, 97%(696-63-9)
  • 检测方法:GC
  • MOL 文件:696-63-9.mol
  • Sigma Aldrich:696-63-9(sigmaaldrich)
  • 下游产品:4-甲氧基茴香硫醚
  • F:10-13-23
  • TCI Shanghai:4-甲氧基苯硫酚 4-Methoxybenzenethiol,>;96.0%(GC)(696-63-9)
  • 图谱信息:4-甲氧基苯硫酚(696-63-9)核磁图( 1 HNMR) 4-甲氧基苯硫酚(696-63-9)核磁图( 13 CNMR) 4-甲氧基苯硫酚(696-63-9)红外图谱(IR1) 4-甲氧基苯硫酚(696-63-9)质谱(MS)
  • 4-甲氧基苯硫酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M1333 4-甲氧基苯硫酚 4-Methoxybenzenethiol 5G 544元 2014/06/02 M1333 4-甲氧基苯硫酚 4-Methoxybenzenethiol 25G 1710元 2010/06/21 149150050 4-甲氧基苯硫酚 4-Methoxybenzenethiol 98% 5 ML 608元
  • 敏感性:Stench
  • Acros Organics:4-甲氧基苯硫酚 4-Methoxybenzenethiol, 98%(696-63-9)
  • Hazard Note:Harmful/Stench
  • 存储注意事项:空气敏感

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

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