2-Methylbenzothiazole 2-甲基苯并噻唑

CAS 120-75-2 MFCD00005794

化学结构图

120-75-2
SMILES: Cc1nc2ccccc2s1

化学属性

Mol. FormulaC8H7NS
Mol. Weight149
Density1.173
Refractive index1.6150 to 1.6190
Flash Point123°C(lit.)
TSCAYes
Boiling Point238
Melting Point11-14
Appearance 无色油状液体。溶点14℃。沸点238℃,150-151℃(2.0kPa)。相对密度1.173。折光率1.6170。闪点102℃。溶于乙醇和盐酸,不溶于水,有吡啶气味。

别名和识别编码

Chemical Name2-Methylbenzothiazole
Synonym 2-methyl-benzothiazole {uni_hamburg} Benzothiazole, 2-methyl- (6CI,8CI,9CI) 3-Methyl-benzothiazole 2-Methyl-1,3-benzothiazole USAF ek-1853 2-甲基苯并噻唑, 98+% 2-Methyl-4,5-benzothiazol 2-甲基苯并噻唑 Benzothiazole, 2-methyl- 2-甲苯并噻唑 2-methylbenzothiazole 2-Methylbenzothiazole ,99% Benzothiazole,2-methyl- 甲基苯并噻吡啶 2-Methylbenzothiazole 2-methylbenzo[d]thiazole 2-Methylbenzothiazole, 98+% 2-methyl-1,3-benzothiazole USAF EK-1853 2-METHYLBENZOTHIAZOLE 2-methyl-benzothiazol usafek-1853 2-methylbenzothiazol Usaf ek-1853 METHYLBENZOTHIAZOLE
MDL NumberMFCD00005794
CAS Number120-75-2
EC Number204-423-3
Beilstein Registry Number112427
PubChem Substance ID87572555
Reaxys-RN112427
Chemical Name Translation2-甲基苯并噻唑
Wiswesser Line NotationT56 BN DSJ C1
LabNetwork Molecule IDLN00193928
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分类

  • {SNA} Building Blocks, C8 to C9, Chemical Synthesis, Heterocyclic Building Blocks, Thiazoles
  • {uni_hamburg} no charge; sulfur heterocycle; nitrogen heterocycle; carbocycle; aromatic; large ring; fused rings; 5ring; 6ring; 9ring; 1fragment

相关文献及参考

  • Short: III/35B
  • Beilstein:27,46
  • {
  • Short: III/35D3
  • Lithiation occurs at the methyl group. The sequence shown was developed by Corey as an efficient olefination method for carbonyl groups. The resulting vinylbenzothiazoles undergo Michael additions and a variety of other chemical transformations: Tetrahedron Lett., 5, 9, 13 (1978):

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;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
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
  • 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
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
RTECSDL5600000
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves
Hazard Codes Xn
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 105 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 105,486,1952

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 300 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

其他信息

  • 图谱信息:2-甲基苯并噻唑(120-75-2)红外图谱(IR1) 2-甲基苯并噻唑(120-75-2)质谱(MS) 2-甲基苯并噻唑(120-75-2)核磁图( 13 CNMR)
  • 2-甲基苯并噻唑价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30116380 2-甲基苯并噻唑 100ml 835.4元 2011/04/16 M0516 2-甲基苯并噻唑 2-Methylbenzothiazole 500G 4300元 2011/04/16 M0516 2-甲基苯并噻唑 2-Methylbenzothiazole 25G 430元
  • MOL 文件:120-75-2.mol
  • 海关编码:29342080
  • MSDS 信息:2-Methylbenzothiazole(120-75-2).msds
  • 用途一:该品与碘化钠钾反应生成红色或橙红色沉淀,与锑生成黄色沉淀,在化学分析中用作检定铋和锑的试剂。该品有毒,能使皮肤发生过敏性反应。
  • color:slightly yellow
  • 上游原料:高铁氰化钾 --> 硫代乙酰苯胺
  • Sigma Aldrich:120-75-2(sigmaaldrich)
  • 检测方法:GC,NMR
  • Alfa Aesar:2-甲基苯并噻唑,98+% 2-Methylbenzothiazole, 98+%(120-75-2)
  • 方法一:由硫代乙酰苯胺经环合而得。将硫代乙酰苯胺溶6%的氢氧化钠溶液中,在冷却下滴加经预冷的20%高铁氰化钾溶液。然后,向混合液通压缩空气2h,再放置24h。析出的油状物用乙醚提取,提取液经干燥后蒸去乙醚,乘余物减压蒸馏得油状物成品。收率为30%。
  • TCI Shanghai:2-甲基苯并噻唑 2-Methylbenzothiazole,>;98.0%(GC)(120-75-2)

系列性分类


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