Thiobenzamide 硫代苯甲酰胺

CAS 2227-79-4 MFCD00008060

化学结构图

2227-79-4
SMILES: NC(=S)c1ccccc1

化学属性

Mol. FormulaC7H7NS
Mol. Weight137.20
Melting Point113-117°C
Flash Point120°C
TSCAYes
Density1.182
Boiling Point245°C at 760 mmHg

别名和识别编码

Chemical NameThiobenzamide
MDL NumberMFCD00008060
CAS Number2227-79-4
PubChem Substance ID683563
Beilstein Registry Number606021
EC Number218-765-6
Synonym Benzothioamide {LY} Benzothioamide thiobenzamide {} {LY} Benzothioamide {} {} {LY} Benzothioamide {} {} {} {LY} Benzothioamide {} {} {} {} {LY} Benzothioamide {} {} {} {} {} {LY} Benzothioamide {} {} {} {} {} {} {LY} Benzothioamide {} {} {} {} {} {} {} {LY} Benzothioamide {} {} {} {} {} {} {} {} {LY} Benzothioamide {} {} {} {} {} {} {} {} {} {LY} Benzothioamide {} {} {} {} {} {} {} {} {} {} {LY} Benzothioamide {} {} {} {} {} {} {} {} {} {} {} {LY} Benzothioamide {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzothioamide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzothioamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzothioamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzothioamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzothioamide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Alfabeta NameBENZENECARBOTHIOAMIDE
Chemical Name Translation硫代苯甲酰胺
Reaxys-RN606021
Wiswesser Line NotationZYR&US
LabNetwork Molecule IDLN00183857
InChIInChI=1S/C7H7NS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
Canonical SMILESNC(C1=CC=CC=C1)=S
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiocarbonyl Compounds

产品应用

  • 化工、药物中间体。

相关文献及参考

  • Beilstein:9,424

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • 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。
  • P301+P310
  • P301+P310+P330
  • P301+P316
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
RTECSCV5860000
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Signal word Danger
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Packing GroupIII
UN Number 2811 UN 2811 6.1/PG 3
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
Hazard Codes 6.1 T
Warnings IRRITANT
Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Class6.1
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6300 mg/kg/15W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - multiple effects
   Liver - tumors
REFERENCE :
   BSIBAC Bolletino della Societe Italiana di Biologia Sperimentale.  (Casa
   Editrice Idelson, Via A. de Gasperi, 55, 80133 Naples, Italy)  V.2- 1927- 
   Volume(issue)/page/year: 54,1027,1978

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 13300 mg/kg/38W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   55,34,1984

TYPE OF TEST            : TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 13 gm/kg/38W-C
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Liver - tumors
REFERENCE :
   ARTODN Archives of Toxicology.  (Springer-Verlag, Heidelberger Pl. 3, D-1000
   Berlin 33, Fed. Rep. Ger.)  V.32-    1974-  Volume(issue)/page/year:
   55,34,1984

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 11,1383,1977

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 95 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   THERAP Therapie.  (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
   France)  V.1-    1946-  Volume(issue)/page/year: 8,237,1953

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 180 umol/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 192,141,1987

其他信息

  • 储运特性:通风低温干燥; 与库房食品原料分开存放
  • MOL 文件:2227-79-4.mol
  • 毒性分级:高毒
  • 下游产品:2-苯基-1,3-噻唑-4-甲醛 --> 2-苯基-1,3-噻唑-4-羰酰氯 --> 2-苯基-4-羟甲基噻唑 --> 4-甲基-2-苯基-1,3-噻唑-5-碳酰氯 --> 4-甲基-2-苯基-1,3-噻唑-5-羧酸 --> 氯苯噻乙酸 --> 2-苯基-4-甲基噻唑-5-甲酸乙酯
  • 用途一:化工、药物中间体。
  • color:yellow
  • 图谱信息:硫代苯甲酰胺(2227-79-4)红外图谱(IR1) 硫代苯甲酰胺(2227-79-4)核磁图( 1 HNMR) 硫代苯甲酰胺(2227-79-4)红外图谱(IR2) 硫代苯甲酰胺(2227-79-4)质谱(MS)
  • TCI Shanghai:硫代苯甲酰胺 Thiobenzamide,>;98.0%(N)(2227-79-4)
  • Sigma Aldrich:2227-79-4(sigmaaldrich)
  • 急性毒性:口服-小鼠 LD50; 95 毫克/公斤; 腹腔-小鼠 LD50; 500 毫克/公斤
  • 可燃性危险特性:可燃; 燃烧产生有毒氮氧化物和硫化物烟雾
  • Alfa Aesar:硫代苯甲酰胺,98% Thiobenzamide, 98%(2227-79-4)
  • Acros Organics:硫代苯甲酰胺 Thiobenzamide, 95%(2227-79-4)
  • 外观性质:淡黄色结晶。熔点:113-117 °C
  • 硫代苯甲酰胺价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0194 硫代苯甲酰胺 Thiobenzamide 500G 3660元 2014/06/02 T0194 硫代苯甲酰胺 Thiobenzamide 25G 477元 2010/06/21 164730500 硫代苯甲酰胺 Thiobenzamide 95% 50 GR 961元
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品

系列性分类


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