1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE

Modify Date: 2025-08-24 08:42:48

1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE Structure
1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE structure
 Common Name 1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE
CAS Number 13230-04-1 Molecular Weight 141.12800
Density 1.36g/cm3 Boiling Point 313.7ºC at 760mmHg
Molecular Formula C5H7N3O2 Melting Point 179-182ºC
MSDS N/A Flash Point 143.5ºC

 Names

Name 1,2-dimethyl-4-nitroimidazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.36g/cm3
Boiling Point 313.7ºC at 760mmHg
Melting Point 179-182ºC
Molecular Formula C5H7N3O2
Molecular Weight 141.12800
Flash Point 143.5ºC
Exact Mass 141.05400
PSA 63.64000
LogP 1.15990
Vapour Pressure 0.000901mmHg at 25°C
Index of Refraction 1.598
InChIKey YJJBSMOKINSQQF-UHFFFAOYSA-N
SMILES Cc1nc([N+](=O)[O-])cn1C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI4925000
CHEMICAL NAME :
Imidazole, 1,2-dimethyl-4-nitro-
CAS REGISTRY NUMBER :
13230-04-1
BEILSTEIN REFERENCE NO. :
0121504
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C5-H7-N3-O2
MOLECULAR WEIGHT :
141.15
WISWESSER LINE NOTATION :
T5N CNJ A1 B1 DNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Klebsiella pneumoniae
DOSE/DURATION :
5 mmol/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

 Safety Information

HS Code 2933290090

 Synthetic Route

2-Methyl-4-nitroimidazole structure

2-Methyl-4-nitr...

CAS#:696-23-1

methyl iodide structure

methyl iodide

CAS#:74-88-4

~96%

1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE Structure

1,2-DIMETHYL-4-...

CAS#:13230-04-1

Literature: Lu, Guo-Liang; Ashoorzadeh, Amir; Anderson, Robert F.; Patterson, Adam V.; Smaill, Jeff B. Tetrahedron, 2013 , vol. 69, # 43 p. 9130 - 9138
2-Methyl-4-nitroimidazole structure

2-Methyl-4-nitr...

CAS#:696-23-1

Dimethyl Carbonate structure

Dimethyl Carbonate

CAS#:616-38-6

~52%

1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE Structure

1,2-DIMETHYL-4-...

CAS#:13230-04-1

Literature: Lissel, Manfred Liebigs Annalen der Chemie, 1987 , p. 77 - 80
1,2-Dimethyl-5-nitroimidazole structure

1,2-Dimethyl-5-...

CAS#:551-92-8

~96%

1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE Structure

1,2-DIMETHYL-4-...

CAS#:13230-04-1

Literature: Vanelle, Patrice; Jentzer, Olivier; Bahnous, Mebarek; Crozet, Michel P. Tetrahedron Letters, 1988 , vol. 29, # 42 p. 5361 - 5364
Metronidazole structure

Metronidazole

CAS#:443-48-1

methyl iodide structure

methyl iodide

CAS#:74-88-4

~65%

1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE Structure

1,2-DIMETHYL-4-...

CAS#:13230-04-1

Literature: Foeldeak, Sandor; Molnar, Maria; Lokoes, Magdalena Liebigs Annalen der Chemie, 1994 , # 2 p. 211 - 212
1,2-Dimethylimidazole structure

1,2-Dimethylimi...

CAS#:1739-84-0

~%

1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE Structure

1,2-DIMETHYL-4-...

CAS#:13230-04-1

1,2-Dimethyl-5-nitroimidazole structure

1,2-Dimethyl-5-...

CAS#:551-92-8

Literature: Bhagwat; Pyman Journal of the Chemical Society, 1925 , vol. 127, p. 1835
2-Methyl-4-nitroimidazole structure

2-Methyl-4-nitr...

CAS#:696-23-1

Dimethyl sulfate structure

Dimethyl sulfate

CAS#:77-78-1

~%

1,2-DIMETHYL-4-NITRO-1H-IMIDAZOLE Structure

1,2-DIMETHYL-4-...

CAS#:13230-04-1

1,2-Dimethyl-5-nitroimidazole structure

1,2-Dimethyl-5-...

CAS#:551-92-8

Literature: Bhagwat; Pyman Journal of the Chemical Society, 1925 , vol. 127, p. 1835

 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

1,2-Dimethyl-4-nitro-1H-imidazole
1,2-Dimethyl-4-nitroimidazol
1,2-dimethyl-4-nitro-imidazole
Imidazole,1,2-dimethyl-4-nitro
1,2-Dimethyl-4-nitro-1H-imidazol
dimethyl-1,2 nitro-4 imidazole
EINECS 236-201-7
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