Imidazole, 1,4-dimethyl-5-nitro-

Modify Date: 2025-08-27 07:41:17

Imidazole, 1,4-dimethyl-5-nitro- Structure
Imidazole, 1,4-dimethyl-5-nitro- structure
 Common Name Imidazole, 1,4-dimethyl-5-nitro-
CAS Number 57658-79-4 Molecular Weight 141.12800
Density 1.36g/cm3 Boiling Point 323ºC at 760mmHg
Molecular Formula C5H7N3O2 Melting Point N/A
MSDS N/A Flash Point 149.1ºC

 Names

Name 1,4-dimethyl-5-nitroimidazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.36g/cm3
Boiling Point 323ºC at 760mmHg
Molecular Formula C5H7N3O2
Molecular Weight 141.12800
Flash Point 149.1ºC
Exact Mass 141.05400
PSA 63.64000
LogP 1.15990
Index of Refraction 1.598
InChIKey FEGUTYIXCZDKJV-UHFFFAOYSA-N
SMILES Cc1ncn(C)c1[N+](=O)[O-]

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI5082000
CHEMICAL NAME :
Imidazole, 1,4-dimethyl-5-nitro-
CAS REGISTRY NUMBER :
57658-79-4
BEILSTEIN REFERENCE NO. :
0134706
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H7-N3-O2
MOLECULAR WEIGHT :
141.15
WISWESSER LINE NOTATION :
T5N CNJ A1 D1 ENW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Klebsiella pneumoniae
DOSE/DURATION :
10 umol/L/20H
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 66,207,1979

 Synthetic Route

4-Methyl-5-nitroimidazole structure

4-Methyl-5-nitr...

CAS#:14003-66-8

~76%

Imidazole, 1,4-dimethyl-5-nitro- Structure

Imidazole, 1,4-...

CAS#:57658-79-4

Literature: BASF Aktiengesellschaft Patent: US4021442 A1, 1977 ;
4-Methyl-5-nitroimidazole structure

4-Methyl-5-nitr...

CAS#:14003-66-8

Trimethyl orthoformate structure

Trimethyl ortho...

CAS#:149-73-5

~36%

Imidazole, 1,4-dimethyl-5-nitro- Structure

Imidazole, 1,4-...

CAS#:57658-79-4

Literature: Hosmane, Ramachandra S.; Bhan, Anila; Rauser, Michael E. Journal of Organic Chemistry, 1985 , vol. 50, # 26 p. 5892 - 5895
4-Methyl-5-nitroimidazole structure

4-Methyl-5-nitr...

CAS#:14003-66-8

Dimethyl sulfate structure

Dimethyl sulfate

CAS#:77-78-1

~59%

Imidazole, 1,4-dimethyl-5-nitro- Structure

Imidazole, 1,4-...

CAS#:57658-79-4

Literature: Chauviere, Gerard; Bouteille, Bernard; Enanga, Bertin; De Albuquerque, Cristina; Croft, Simon L.; Dumas, Michel; Perie, Jacques Journal of Medicinal Chemistry, 2003 , vol. 46, # 3 p. 427 - 440
4-Methyl-5-nitroimidazole structure

4-Methyl-5-nitr...

CAS#:14003-66-8

methyl iodide structure

methyl iodide

CAS#:74-88-4

~%

1,5-dimethyl-4-nitro-1H-imidazole structure

1,5-dimethyl-4-...

CAS#:7464-68-8

Imidazole, 1,4-dimethyl-5-nitro- Structure

Imidazole, 1,4-...

CAS#:57658-79-4

Literature: Hosmane, Ramachandra S.; Bhan, Anila; Rauser, Michael E. Journal of Organic Chemistry, 1985 , vol. 50, # 26 p. 5892 - 5895
4-Methyl-5-nitroimidazole structure

4-Methyl-5-nitr...

CAS#:14003-66-8

Dimethyl sulfate structure

Dimethyl sulfate

CAS#:77-78-1

~%

1,5-dimethyl-4-nitro-1H-imidazole structure

1,5-dimethyl-4-...

CAS#:7464-68-8

Imidazole, 1,4-dimethyl-5-nitro- Structure

Imidazole, 1,4-...

CAS#:57658-79-4

Literature: Pyman Journal of the Chemical Society, 1922 , vol. 121, p. 2624

 Synonyms

1H-Imidazole,1,4-dimethyl-5-nitro
1,4-Dimethyl-5-nitroimidazol
1,4-Dimethyl-5-nitro-1H-imidazole
Imidazole,1,4-dimethyl-5-nitro
1,4-Dimethyl-5-nitro-1H-imidazol
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