2-Mercaptobenzoxazole 2-巯基苯并恶唑

CAS 2382-96-9 MFCD00005769

化学结构图

2382-96-9
SMILES: S=c1[nH]c2ccccc2o1

化学属性

Mol. FormulaC7H5NOS
Mol. Weight151.18
Density1.41
Melting Point192-195°C
TSCAYes
Solubility略溶于水
Appearance 白色或类白色粉末，熔点193-194℃
Boiling Point360 °C at 760 mmHg

别名和识别编码

Chemical Name2-Mercaptobenzoxazole
Synonym Benzo[d]oxazole-2-thiol {LY} Benzo[d]oxazole-2-thiol {} {LY} Benzo[d]oxazole-2-thiol {} {} {LY} Benzo[d]oxazole-2-thiol {} {} {} {LY} Benzo[d]oxazole-2-thiol {} {} {} {} {LY} Benzo[d]oxazole-2-thiol {} {} {} {} {} {LY} Benzo[d]oxazole-2-thiol {} {} {} {} {} {} {LY} Benzo[d]oxazole-2-thiol {} {} {} {} {} {} {} {LY} Benzo[d]oxazole-2-thiol {} {} {} {} {} {} {} {} {LY} Benzo[d]oxazole-2-thiol {} {} {} {} {} {} {} {} {} {LY} Benzo[d]oxazole-2-thiol {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]oxazole-2-thiol {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]oxazole-2-thiol {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]oxazole-2-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]oxazole-2-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]oxazole-2-thiol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzo[d]oxazol
CAS Number2382-96-9
EC Number219-191-9
Beilstein Registry Number119483
MDL NumberMFCD00005769
PubChem Substance ID712377
Alfabeta NameMERCAPTOBENZOXAZOLE 2-
Reaxys-RN742521
Chemical Name Translation2-巯基苯并恶唑
Wiswesser Line NotationT56 BN DOJ CSH
LabNetwork Molecule IDLN00184153
InChIInChI=1S/C7H5NOS/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,10)
Canonical SMILESSC1=NC2=CC=CC=C2O1
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分类

  • {uni_hamburg} no charge; oxygen heterocycle; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Oxazoles

相关文献及参考

  • Successive alkylation with different alkyl halides provides a route to unsymmmetrical dialkyl sulfides: J. Org. Chem., 48, 3842 (1983):
  • Short: III/39
  • Short: EINECS
  • Beilstein:27,181
  • If the two alkyl groups are identical the reaction can be run as a one-pot sequence.

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
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
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
  • 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。
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • 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）。
  • 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
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSDM4882500
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Warnings IRRITANT 
TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NCNSA6 National Academy of Sciences, National Research Council,
   Chemical-Biological Coordination Center, Review.  (Washington, DC)
   Volume(issue)/page/year: 5,23,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 180 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#04482

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
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
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。

其他信息

  • 微溶于水，溶于碱性水溶液。
  • 图谱信息:2-巯基苯并恶唑(2382-96-9)质谱(MS) 2-巯基苯并恶唑(2382-96-9)核磁图( 13 CNMR) 2-巯基苯并恶唑(2382-96-9)红外图谱(IR2) 2-巯基苯并恶唑(2382-96-9)核磁图( 1 HNMR) 2-巯基苯并恶唑(2382-96-9)红外图谱(IR1)
  • Sigma Aldrich:2382-96-9(sigmaaldrich)
  • TCI Shanghai:2-巯基苯并恶唑 2-Mercaptobenzoxazole,>;98.0%(GC)(T)(2382-96-9)
  • MSDS 信息:2-Mercaptobenzoxazole(2382-96-9).msds
  • Alfa Aesar:2-巯基苯并唑,98+% 2-Mercaptobenzoxazole, 98+%(2382-96-9)
  • 用途一:用于染料、医药及有机化合物的合成
  • Acros Organics:2-巯基苯并恶唑 2-Mercaptobenzoxazole, 99%(2382-96-9)
  • F:13
  • 2-巯基苯并恶唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010229 2-巯基苯并噁唑 25g 235元 2011/04/16 B0096 2-巯基苯并恶唑 2-Mercaptobenzoxazole 500G 3800元 2011/04/16 B0096 2-巯基苯并恶唑 2-Mercaptobenzoxazole 25G 416元
  • 海关编码:29349990
  • MOL 文件:2382-96-9.mol

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Isoxazoles 异恶唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Oxadiazoles 恶二唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Oxazoles 恶唑
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Benzoxazole 苯并恶唑