110579-14-1

110579-14-1 structure

Name: 5-(2-chloroethylsulfanyl)-1-[(4-chlorophenyl)methyl]-2-methyl-4-nitroimidazole
Chemical Name: 5-(2-chloroethylsulfanyl)-1-[(4-chlorophenyl)methyl]-2-methyl-4-nitroimidazole
CAS Number: 110579-14-1
Molecular Formula: C₁₃H₁₃Cl₂N₃O₂S
Molecular Weight: 346.23200
Create Date: 2017-07-22 17:29:37
Modify Date: 2025-09-18 18:25:53

Name	5-(2-chloroethylsulfanyl)-1-[(4-chlorophenyl)methyl]-2-methyl-4-nitroimidazole
Synonyms	5-((2-Chloroethyl)thio)-1-((4-chlorophenyl)methyl)-2-methyl-4-nitro-1H-imidazole 1H-Imidazole,5-((2-chloroethyl)thio)-1-((4-chlorophenyl)methyl)-2-methyl-4-nitro

Density	1.45g/cm3
Boiling Point	503ºC at 760mmHg
Molecular Formula	C₁₃H₁₃Cl₂N₃O₂S
Molecular Weight	346.23200
Flash Point	258ºC
Exact Mass	345.01100
PSA	88.94000
LogP	4.65550
Vapour Pressure	9.48E-10mmHg at 25°C
Index of Refraction	1.65

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NI4395200

CHEMICAL NAME :: 1H-Imidazole, 5-((2-chloroethyl)thio)-1-((4-chlorophenyl)methyl)-2- methyl-4-nitro-

CAS REGISTRY NUMBER :: 110579-14-1

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H13-Cl2-N3-O2-S

MOLECULAR WEIGHT :: 346.25

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

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

110579-09-4

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110579-14-1

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

77952-63-7

110579-14-1

Precursor 2
110579-09-4 77952-63-7
DownStream 0

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