CAS 645-48-7 MFCD00042739-2-Phenylhydrazinecarbothioamide 苯胺基硫脲 TAO{mole}

2-Phenylhydrazinecarbothioamide 苯胺基硫脲

CAS 645-48-7 MFCD00042739

化学结构图

SMILES: NC(=S)NNc1ccccc1

化学属性

Mol. Formula	C7H9N3S
Mol. Weight	167.23
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 Name	2-Phenylhydrazinecarbothioamide
CAS Number	645-48-7
Alfabeta Name	PHENYLHYDRAZINECARBOTHIOAMIDE 2-
MDL Number	MFCD00042739
PubChem Substance ID	2781094
EC Number	211-444-1
Beilstein Registry Number	15(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-RN	743312
Chemical Name Translation	苯胺基硫脲
Wiswesser Line Notation	SUYZMMR
InChIKey	JDXKTOBMLZLCSB-UHFFFAOYSA-N
LabNetwork Molecule ID	LN00160265
InChI	InChI=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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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)