5-(2-chloroethylsulfanyl)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole

Modify Date: 2024-01-10 18:53:36

5-(2-chloroethylsulfanyl)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole structure	Common Name	5-(2-chloroethylsulfanyl)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole
	CAS Number	110579-15-2	Molecular Weight	386.81100
	Density	1.51g/cm3	Boiling Point	595.5ºC at 760 mmHg
	Molecular Formula	C₁₄H₁₅ClN₄O₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	314ºC

Name	5-(2-chloroethylsulfanyl)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole
Synonym	More Synonyms

Density	1.51g/cm3
Boiling Point	595.5ºC at 760 mmHg
Molecular Formula	C₁₄H₁₅ClN₄O₅S
Molecular Weight	386.81100
Flash Point	314ºC
Exact Mass	386.04500
PSA	143.99000
LogP	4.44210
Vapour Pressure	1.61E-13mmHg at 25°C
Index of Refraction	1.653

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NI4395270

CHEMICAL NAME :: 1H-Imidazole, 5-((2-chloroethyl)thio)-1-((4-methoxy-3-nitrophenyl)m ethyl)-2-methyl-4-nit ro-

CAS REGISTRY NUMBER :: 110579-15-2

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H15-Cl-N4-O5-S

MOLECULAR WEIGHT :: 386.84

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >2500 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

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: 21,403,1987

2-((1-(4-methox...

CAS#:110579-10-7

~65%

5-(2-chloroethy...

CAS#:110579-15-2

Literature: Iradyan, M. A.; Ayvazyan, A. Kh.; Mirzoyan, V. S.; Paronikyan, G. M.; Sarkisyan, T. P.; et al. Pharmaceutical Chemistry Journal, 1987 , vol. 21, # 6 p. 403 - 408 Khimiko-Farmatsevticheskii Zhurnal, 1987 , vol. 21, # 6 p. 667 - 672

1-(4-methoxy-3-...

CAS#:77952-64-8

5-(2-chloroethy...

CAS#:110579-15-2

Precursor 2
CAS#:110579-10-7 2-((1-(4-methox... CAS#:77952-64-8 1-(4-methoxy-3-...
DownStream 0

1H-Imidazole,5-((2-chloroethyl)thio)-1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro

5-((2-Chloroethyl)thio)-1-((4-methoxy-3-nitrophenyl)methyl)-2-methyl-4-nitro-1H-imidazole

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5-(2-chloroethylsulfanyl)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms