126335-04-4

126335-04-4 structure

126335-04-4 structure

Name: methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate
Chemical Name: methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate
CAS Number: 126335-04-4
Molecular Formula: C₁₂H₁₂N₄O₂S
Molecular Weight: 276.31400
Create Date: 2016-12-25 15:34:48
Modify Date: 2024-04-03 20:01:33

Name	methyl 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate
Synonyms	2-Propenoic acid,3-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-,methyl ester

Density	1.35g/cm3
Boiling Point	502ºC at 760mmHg
Molecular Formula	C₁₂H₁₂N₄O₂S
Molecular Weight	276.31400
Flash Point	257.4ºC
Exact Mass	276.06800
PSA	108.33000
LogP	2.01890
Vapour Pressure	3.29E-10mmHg at 25°C
Index of Refraction	1.655

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UD3010000

CHEMICAL NAME :: 2-Propenoic acid, 3-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-, methyl ester

CAS REGISTRY NUMBER :: 126335-04-4

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C12-H12-N4-O2-S

MOLECULAR WEIGHT :: 276.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Mammal - species unspecified

DOSE/DURATION :: 550 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: 23,911,1989