4-tert-Butylbenzenethiol 4-叔丁基苯硫酚

CAS 2396-68-1 MFCD00022067

化学结构图

2396-68-1
SMILES: CC(C)(C)c1ccc(S)cc1

化学属性

Mol. FormulaC10H14S
Mol. Weight166.28
Density0.964
Refractive index1.5470 to 1.5490
Boiling Point238 °C at 760 mmHg
Flash Point>110°(230°F)
TSCANo
Melting Point-11 °C
Stability对空气敏感
pH:A

别名和识别编码

Chemical Name4-tert-Butylbenzenethiol
Synonym 4-(Tert-butyl)benzenethiol {LY} 4-(Tert-butyl)benzenethiol {} {LY} 4-(Tert-butyl)benzenethiol {} {} {LY} 4-(Tert-butyl)benzenethiol {} {} {} {LY} 4-(Tert-butyl)benzenethiol {} {} {} {} {LY} 4-(Tert-butyl)benzenethiol {} {} {} {} {} {LY} 4-(Tert-butyl)benzenethiol {} {} {} {} {} {} {LY} 4-(Tert-butyl)benzenethiol {} {} {} {} {} {} {} {LY} 4-(Tert-butyl)benzenethiol {} {} {} {} {} {} {} {} {LY} 4-(Tert-butyl)benzenethiol {} {} {} {} {} {} {} {} {} {LY} 4-(Tert-butyl)benzenethiol {} {} {} {} {} {} {} {} {} {} {LY} 4-(Tert-butyl)benzenethiol {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Tert-butyl)benzenethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Tert-butyl)benzenethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Tert-butyl)benzenethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Tert-butyl)benzenethiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-(Tert-butyl)benzen
CAS Number2396-68-1
EC Number219-255-6
Beilstein Registry Number606476
MDL NumberMFCD00022067
PubChem Substance ID75454
Chemical Name Translation4-叔丁基苯硫酚
Reaxys-RN606476
InChIKeyGNXBFFHXJDZGEK-UHFFFAOYSA-N
Wiswesser Line NotationSHR DX1&1&1
LabNetwork Molecule IDLN00226942
InChIInChI=1S/C10H14S/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
Canonical SMILESSC1=CC=C(C(C)(C)C)C=C1
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分类

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

相关文献及参考

  • Short: EINECS
  • 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;
  • 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;
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
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。
  • P264+P265
  • 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+P312
  • P301+P312+P330
  • P301+P317
  • P302+P352
  • P302+P352+P312+P362+P364
  • P304+P340
  • P304+P340+P312
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H302+H312+H332
  • 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 Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSDC1025000
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 Codes 9
Packing GroupIII
UN Number 3334
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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#00454

其他信息

  • Alfa Aesar:4-叔丁基硫代苯酚,97% 4-tert-Butylthiophenol, 97%(2396-68-1)
  • MOL 文件:2396-68-1.mol
  • 图谱信息:4-叔丁基苯硫酚(2396-68-1)红外图谱(IR1) 4-叔丁基苯硫酚(2396-68-1)质谱(MS) 4-叔丁基苯硫酚(2396-68-1)红外图谱(IR2)
  • 类别:有毒物质
  • 可燃性危险特性:热分解排出有毒硫氧化物烟雾
  • 毒性分级:中毒
  • TCI Shanghai:4-叔丁基苯硫酚 4-tert-Butylbenzenethiol,>;97.0%(GC)(2396-68-1)
  • 敏感性:Air Sensitive
  • 急性毒性:静脉-小鼠 LD50: 100 毫克/公斤
  • Sigma Aldrich:2396-68-1(sigmaaldrich)
  • 灭火剂:水, 干粉, 二氧化碳, 泡沫
  • 4-叔丁基苯硫酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0741 4-叔丁基苯硫酚 4-tert-Butylbenzenethiol 5G 965元 2014/06/02 B0741 4-叔丁基苯硫酚 4-tert-Butylbenzenethiol 25G 2500元 2010/05/25 A12148 4-叔丁基硫代苯酚, 97% 4-tert-Butylthiophenol, 97% 25g 4116元
  • 储运特性:库房通风低温干燥
  • Hazard Note:Harmful/Irritant

系列性分类


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