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

Modify Date: 2024-04-02 09:46:44

(6Z)-6-[5-(Butylsulfanyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3 -ylidene]-2,4-cyclohexadien-1-one structure	Common Name	(6Z)-6-[5-(Butylsulfanyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazol-3 -ylidene]-2,4-cyclohexadien-1-one
	CAS Number	81518-37-8	Molecular Weight	325.42800
	Density	1.21g/cm3	Boiling Point	465.1ºC at 760 mmHg
	Molecular Formula	C₁₈H₁₉N₃OS	Melting Point	N/A
	MSDS	N/A	Flash Point	235.1ºC

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

Density	1.21g/cm3
Boiling Point	465.1ºC at 760 mmHg
Molecular Formula	C₁₈H₁₉N₃OS
Molecular Weight	325.42800
Flash Point	235.1ºC
Exact Mass	325.12500
PSA	75.98000
LogP	3.21950
Index of Refraction	1.638

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SK2100000

CHEMICAL NAME :: Phenol, 2-(5-(butylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)-

CAS REGISTRY NUMBER :: 81518-37-8

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H19-N3-O-S

MOLECULAR WEIGHT :: 325.46

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 :: 800 mg/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-phenyl-5-(2'-...

CAS#:81518-26-5

~62%

(6Z)-6-[5-(Buty...

CAS#:81518-37-8

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

4-phenyl-1-(2-h...

CAS#:37536-32-6

(6Z)-6-[5-(Buty...

CAS#:81518-37-8

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

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route