2-Phenylhydrazinecarbothioamide 苯胺基硫脲

CAS 645-48-7 MFCD00042739

化学结构图

645-48-7
SMILES: NC(=S)NNc1ccccc1

化学属性

Mol. FormulaC7H9N3S
Mol. Weight167.23
Melting Point~200 °C (dec.)
Appearance 白色晶体。熔点200-201℃(分解)。易溶于热乙醇,微溶于氯仿、乙醚和苯。

别名和识别编码

Chemical Name2-Phenylhydrazinecarbothioamide
CAS Number645-48-7
Alfabeta NamePHENYLHYDRAZINECARBOTHIOAMIDE 2-
MDL NumberMFCD00042739
PubChem Substance ID2781094
EC Number211-444-1
Beilstein Registry Number15(3)190
Synonym 1-Anilinothiourea 2-phenyl-hydrazinecarbothioamid Hydrazinecarbothioamide, 2-phenyl- 2-Phenylhydrazinecarbothioamide 1-苯基氨基硫脲 2-Phenylhydrazine-1-carbothioamide 1-Phenylthiosemicarbazide 2-PHENYL-1-HYDRAZINECARBOTHIOAMIDE USAF EL-45 苯胺基硫脲 2-phenylhydrazinecarbothioamide Anilinourea 1-phenyl-3-thio-semicarbazid 1-PHENYLTHIOSEMICARBAZIDE USAF EX-5426 1-PHENYL-3-THIOSEMICARBAZIDE
Reaxys-RN743312
Chemical Name Translation苯胺基硫脲
Wiswesser Line NotationSUYZMMR
InChIKeyJDXKTOBMLZLCSB-UHFFFAOYSA-N
LabNetwork Molecule IDLN00160265
InChIInChI=1S/C7H9N3S/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5,9H,(H3,8,10,11)
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分类

  • {SNA} Spectroscopy, UV/Vis Reagents, UV/Visible (UV/VIS) Spectroscopy, 分析/色谱, 分析试剂
  • {SNA} Analytical Reagents, Analytical/Chromatography, Spectroscopy, UV/Vis Reagents, UV/Visible (UV/VIS) Spectroscopy

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
Personal Protective Equipment Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
RTECSVT3850000
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
  • 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.....
Signal word Danger
Safety Statements
  • 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);
Hazard Codes T
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
UN Number UN 2811 6.1/PG 2 2811
Packing GroupIII
Hazard Class6.1
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 50 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: 93,287,1948

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Human HeLa cell
DOSE/DURATION           : 20 umol/L
REFERENCE :
   BCPCA6 Biochemical Pharmacology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.1-    1958-  Volume(issue)/page/year:
   25,821,1976

其他信息

  • Sigma Aldrich:645-48-7(sigmaaldrich)
  • 图谱信息:苯胺基硫脲 (645-48-7)核磁图( 1 HNMR) 苯胺基硫脲 (645-48-7)红外图谱(IR1) 苯胺基硫脲 (645-48-7)质谱(MS) 苯胺基硫脲 (645-48-7)红外图谱(IR2)
  • 用途一:用于有机合成。
  • 上游原料:氯化铵 --> 硫氰酸铵 --> 盐酸苯肼
  • 方法一:将盐酸苯肼、硫氰酸铵和无水乙醇一起加热,回流反应12h。冷却,将析出的沉淀滤出,用冷水洗除其中的氯化铵,现在乙醇中重结晶,得苯胺基硫脲。
  • MOL 文件:645-48-7.mol
  • TCI Shanghai:苯氨基硫脲 1-Phenyl-3-thiosemicarbazide,>;98.0%(T)(645-48-7)

系列性分类


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