Nitrefazole

Modify Date: 2024-01-10 15:15:20

Nitrefazole Structure
Nitrefazole structure
Common Name Nitrefazole
CAS Number 21721-92-6 Molecular Weight 248.19500
Density 1.53g/cm3 Boiling Point 484.9ºC at 760 mmHg
Molecular Formula C10H8N4O4 Melting Point N/A
MSDS N/A Flash Point 247.1ºC

 Use of Nitrefazole


Nitrefazole is a 4-nitroimidazole derivative with strong and long lasting inhibition of aldehyde dehydrogenase (ALDH), an enzyme involved in the metabolism of alcohol.

 Names

Name 2-methyl-4-nitro-1-(4-nitrophenyl)imidazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.53g/cm3
Boiling Point 484.9ºC at 760 mmHg
Molecular Formula C10H8N4O4
Molecular Weight 248.19500
Flash Point 247.1ºC
Exact Mass 248.05500
PSA 109.46000
LogP 3.04350
Vapour Pressure 1.48E-09mmHg at 25°C
Index of Refraction 1.686

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI7615000
CHEMICAL NAME :
Imidazole, 2-methyl-4-nitro-1-(p-nitrophenyl)-
CAS REGISTRY NUMBER :
21721-92-6
BEILSTEIN REFERENCE NO. :
0546441
LAST UPDATED :
199612
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C10-H8-N4-O4
MOLECULAR WEIGHT :
248.22

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4813 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 8,861,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1119 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 8,861,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5501 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 8,861,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1475 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 8,861,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
>6400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 8,861,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 8,861,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 8,861,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
1845 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 8,861,1983

 Safety Information

HS Code 2933290090

 Synthetic Route

~%

Nitrefazole Structure

Nitrefazole

CAS#:21721-92-6

Literature: Klink; Pachler; Gottschlich Arzneimittel-Forschung/Drug Research, 1985 , vol. 35, # 8 p. 1220 - 1222

 Precursor & DownStream

Precursor  1

DownStream  0

 Customs

HS Code 2933290090
Summary 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

Nitrefazol [INN-Spanish]
2-methyl-4-nitro-1-(4-nitro-phenyl)-1H-imidazole
1-(p-nitrophenyl)-2-methyl-4-nitroimidazole
Nitrefazolum [INN-Latin]
EINECS 244-542-8
BT-985
Nitrefazole
2-Methyl-4-nitro-1-(4-nitrophenyl)imidazol
Altimol
EMD-15,700
nitrefazol
1-(4-nitrophenyl)-2-methyl-4-nitroimidazole