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

Modify Date: 2024-01-05 14:21:05

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

 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-nitroimidazole 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-nitroimidazole 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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