(6Z)-6-[4-(4-bromophenyl)-5-prop-2-enylsulfanyl-2H-1,2,4-triazol-3-yli dene]cyclohexa-2,4-dien-1-one

Modify Date: 2024-01-31 22:47:31

(6Z)-6-[4-(4-bromophenyl)-5-prop-2-enylsulfanyl-2H-1,2,4-triazol-3-yli dene]cyclohexa-2,4-dien-1-one structure	Common Name	(6Z)-6-[4-(4-bromophenyl)-5-prop-2-enylsulfanyl-2H-1,2,4-triazol-3-yli dene]cyclohexa-2,4-dien-1-one
	CAS Number	81518-40-3	Molecular Weight	388.28200
	Density	1.46g/cm3	Boiling Point	494.3ºC at 760 mmHg
	Molecular Formula	C₁₇H₁₄BrN₃OS	Melting Point	N/A
	MSDS	N/A	Flash Point	252.7ºC

Name	6-[4-(4-bromophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Density	1.46g/cm3
Boiling Point	494.3ºC at 760 mmHg
Molecular Formula	C₁₇H₁₄BrN₃OS
Molecular Weight	388.28200
Flash Point	252.7ºC
Exact Mass	387.00400
PSA	75.98000
LogP	3.36790
Index of Refraction	1.674

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SJ8426000

CHEMICAL NAME :: Phenol, 2-(4-(4-bromophenyl)-5-(2-propenylthio)-4H-1,2,4-tria zol-3-yl)-

CAS REGISTRY NUMBER :: 81518-40-3

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H14-Br-N3-O-S

MOLECULAR WEIGHT :: 388.31

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

4-triazole-3-th...

CAS#:81518-27-6

~69%

(6Z)-6-[4-(4-br...

CAS#:81518-40-3

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

1-Salicyloyl-4-...

CAS#:81518-24-3

(6Z)-6-[4-(4-br...

CAS#:81518-40-3

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

Precursor 2
CAS#:81518-27-6 4-triazole-3-th... CAS#:81518-24-3 1-Salicyloyl-4-...
DownStream 0

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(6Z)-6-[4-(4-bromophenyl)-5-prop-2-enylsulfanyl-2H-1,2,4-triazol-3-yli dene]cyclohexa-2,4-dien-1-one

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream