1-(1-phenyltetrazol-5-yl)sulfanyl-3-[3-(trifluoromethyl)anilino]propan-2-ol

Modify Date: 2025-09-21 18:03:14

1-(1-phenyltetrazol-5-yl)sulfanyl-3-[3-(trifluoromethyl)anilino]propan-2-ol Structure
1-(1-phenyltetrazol-5-yl)sulfanyl-3-[3-(trifluoromethyl)anilino]propan-2-ol structure
Common Name 1-(1-phenyltetrazol-5-yl)sulfanyl-3-[3-(trifluoromethyl)anilino]propan-2-ol
CAS Number 133506-52-2 Molecular Weight 395.40200
Density 1.43g/cm3 Boiling Point 590.9ºC at 760 mmHg
Molecular Formula C17H16F3N5OS Melting Point N/A
MSDS N/A Flash Point 311.2ºC

 Names

Name 1-(1-phenyltetrazol-5-yl)sulfanyl-3-[3-(trifluoromethyl)anilino]propan-2-ol

 Chemical & Physical Properties

Density 1.43g/cm3
Boiling Point 590.9ºC at 760 mmHg
Molecular Formula C17H16F3N5OS
Molecular Weight 395.40200
Flash Point 311.2ºC
Exact Mass 395.10300
PSA 101.16000
LogP 3.31920
Vapour Pressure 8.26E-15mmHg at 25°C
Index of Refraction 1.629
InChIKey RWJHEZUBKOGDGC-UHFFFAOYSA-N
SMILES OC(CNc1cccc(C(F)(F)F)c1)CSc1nnnn1-c1ccccc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UB9339700
CHEMICAL NAME :
2-Propanol, 1-((1-phenyl-1H-tetrazol-5-yl)thio)-3-((3-(trifluorom ethyl)phenyl)amino)-
CAS REGISTRY NUMBER :
133506-52-2
LAST UPDATED :
199306
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H16-F3-N5-O-S
MOLECULAR WEIGHT :
395.44

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CKFRAY Ceskoslovenska Farmacie. (PNS-Ustredni Expedice a Dovoz Tisku, Kafkova 19, 160 00 Prague 6, Czechoslovakia) V.1- 1952- Volume(issue)/page/year: 39,294,1990
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