1,4-Epoxy-1H,3H-(1,4)thiazepino(4,3-a)benzimidazole, 4,5-dihydro-1-phe nyl-

Modify Date: 2025-08-25 16:53:34

1,4-Epoxy-1H,3H-(1,4)thiazepino(4,3-a)benzimidazole, 4,5-dihydro-1-phe nyl- structure	Common Name	1,4-Epoxy-1H,3H-(1,4)thiazepino(4,3-a)benzimidazole, 4,5-dihydro-1-phe nyl-
	CAS Number	76099-30-4	Molecular Weight	294.37100
	Density	1.43g/cm3	Boiling Point	551.5ºC at 760 mmHg
	Molecular Formula	C₁₇H₁₄N₂OS	Melting Point	N/A
	MSDS	N/A	Flash Point	287.3ºC

Name	4,5-dihydro-1-phenyl-1,4-epoxy-1H,3H-<1,4> thiazepino <4,3-a> benzimidazole

Density	1.43g/cm3
Boiling Point	551.5ºC at 760 mmHg
Molecular Formula	C₁₇H₁₄N₂OS
Molecular Weight	294.37100
Flash Point	287.3ºC
Exact Mass	294.08300
PSA	52.35000
LogP	3.38300
Index of Refraction	1.763
InChIKey	DAGJUBHDLVLDKE-UHFFFAOYSA-N
SMILES	c1ccc(C23OC(CS2)Cn2c3nc3ccccc32)cc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KD4900000

CHEMICAL NAME :: 1,4-Epoxy-1H,3H-(1,4)thiazepino(4,3-a)benzimidazole, 4,5-dihydro-1-phenyl-

CAS REGISTRY NUMBER :: 76099-30-4

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C17-H14-N2-O-S

MOLECULAR WEIGHT :: 294.39

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 :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 15,199,1980

HS Code	2934999090

Methanone,1H-benzimidazol-2-ylphenyl- structure

Methanone,1H-be...

CAS#:955-41-9

~%

1,4-Epoxy-1H,3H-(1,4)thiazepino(4,3-a)benzimidazole, 4,5-dihydro-1-phe nyl- Structure

1,4-Epoxy-1H,3H...

CAS#:76099-30-4

Literature: Dostert; Langlois; Guerret; et al. European Journal of Medicinal Chemistry, 1980 , vol. 15, # 3 p. 199 - 205

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.