Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: (6Z)-6-[4-(4-bromophenyl)-5-prop-2-enylsulfanyl-2H-1,2,4-triazol-3-yli dene]cyclohexa-2,4-dien-1-one
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Purity: 98.0%
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81518-40-3

81518-40-3 structure

Name: (6Z)-6-[4-(4-bromophenyl)-5-prop-2-enylsulfanyl-2H-1,2,4-triazol-3-yli dene]cyclohexa-2,4-dien-1-one
Chemical Name: 6-[4-(4-bromophenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one
CAS Number: 81518-40-3
Molecular Formula: C₁₇H₁₄BrN₃OS
Molecular Weight: 388.28200
Create Date: 2017-05-11 15:08:48
Modify Date: 2024-01-31 22:47:31

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

81518-27-6

~69%

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

81518-24-3

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
81518-27-6 81518-24-3
DownStream 0

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