2-(5-(Ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol

Modify Date: 2024-04-02 17:53:32

2-(5-(Ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol Structure
2-(5-(Ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol structure
Common Name 2-(5-(Ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol
CAS Number 81518-34-5 Molecular Weight 297.37500
Density 1.26g/cm3 Boiling Point 442.6ºC at 760 mmHg
Molecular Formula C16H15N3OS Melting Point N/A
MSDS N/A Flash Point 221.5ºC

 Names

Name (6Z)-6-[5-(Ethylsulfanyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3 -ylidene]-2,4-cyclohexadien-1-one

 Chemical & Physical Properties

Density 1.26g/cm3
Boiling Point 442.6ºC at 760 mmHg
Molecular Formula C16H15N3OS
Molecular Weight 297.37500
Flash Point 221.5ºC
Exact Mass 297.09400
PSA 75.98000
LogP 2.43930
Index of Refraction 1.661

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SL4518000
CHEMICAL NAME :
Phenol, 2-(5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)-
CAS REGISTRY NUMBER :
81518-34-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H15-N3-O-S
MOLECULAR WEIGHT :
297.40

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
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 :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 20,1017,1981

 Synthetic Route

~85%

2-(5-(Ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol Structure

2-(5-(Ethylthio...

CAS#:81518-34-5

Literature: Tandon, M.; Barthwal, J. P.; Bhalla, T. N.; Bhargava, K. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1981 , vol. 20, # 11 p. 1017 - 1018

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2-(5-(Ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol Structure

2-(5-(Ethylthio...

CAS#:81518-34-5

Literature: Tandon, M.; Barthwal, J. P.; Bhalla, T. N.; Bhargava, K. P. Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1981 , vol. 20, # 11 p. 1017 - 1018