110579-15-2

110579-15-2 structure

Name: 5-(2-chloroethylsulfanyl)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole
Chemical Name: 5-(2-chloroethylsulfanyl)-1-[(4-methoxy-3-nitrophenyl)methyl]-2-methyl-4-nitroimidazole
CAS Number: 110579-15-2
Molecular Formula: C₁₄H₁₅ClN₄O₅S
Molecular Weight: 386.81100
Create Date: 2016-05-11 16:51:38
Modify Date: 2024-01-10 18:53:36

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

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

110579-10-7

~65%

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

77952-64-8

110579-15-2

Precursor 2
110579-10-7 77952-64-8
DownStream 0

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