2-Methyl-4-nitroimidazole

Modify Date: 2025-08-20 17:17:59

2-Methyl-4-nitroimidazole Structure
2-Methyl-4-nitroimidazole structure
Common Name 2-Methyl-4-nitroimidazole
CAS Number 696-23-1 Molecular Weight 127.10100
Density 1.426g/cm3 Boiling Point 399.5ºC at 760 mmHg
Molecular Formula C4H5N3O2 Melting Point 251-255ºC(lit.)
MSDS Chinese USA Flash Point 195.4ºC
Symbol GHS08
GHS08
Signal Word Warning

 Names

Name 2-Methyl-4(5)-nitroimidazole
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.426g/cm3
Boiling Point 399.5ºC at 760 mmHg
Melting Point 251-255ºC(lit.)
Molecular Formula C4H5N3O2
Molecular Weight 127.10100
Flash Point 195.4ºC
Exact Mass 127.03800
PSA 74.50000
LogP 1.14950
Index of Refraction 1.591
InChIKey FFYTTYVSDVWNMY-UHFFFAOYSA-N
SMILES Cc1ncc([N+](=O)[O-])[nH]1
Storage condition Refrigerator
Stability Stable. Incompatible with strong oxidizing agents.

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI7550000
CHEMICAL NAME :
Imidazole, 2-methyl-5-nitro-
CAS REGISTRY NUMBER :
696-23-1
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C4-H5-N3-O2
MOLECULAR WEIGHT :
127.12
WISWESSER LINE NOTATION :
T5M CNJ B1 ENW

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

Symbol GHS08
GHS08
Signal Word Warning
Hazard Statements H351
Precautionary Statements P281
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xn
Risk Phrases R22
Safety Phrases S22-S36/37
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS NI7550000
HS Code 2933290090

 Synthetic Route

~89%

2-Methyl-4-nitroimidazole Structure

2-Methyl-4-nitr...

CAS#:696-23-1

Literature: BASF Aktiengesellschaft Patent: US4145553 A1, 1979 ;

~86%

2-Methyl-4-nitroimidazole Structure

2-Methyl-4-nitr...

CAS#:696-23-1

Literature: Journal of Chemical Research - Part S, , # 5 p. 244 - 245

~22%

2-Methyl-4-nitroimidazole Structure

2-Methyl-4-nitr...

CAS#:696-23-1

Literature: Polish Journal of Chemistry, , vol. 61, # 7-12 p. 913 - 920

~%

2-Methyl-4-nitroimidazole Structure

2-Methyl-4-nitr...

CAS#:696-23-1

Literature: Polish Journal of Chemistry, , vol. 66, # 5 p. 819 - 826

 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%

 Articles10

More Articles
On the hydrolytic behavior of tinidazole, metronidazole, and ornidazole.

J. Pharm. Sci. 92(4) , 739-46, (2003)

Using two UV-spectrophotometric methods, the hydrolysis of tinidazole was studied at pH 1.00-8.45 at 80 degrees C. The reaction followed apparent first-order kinetics throughout the studied range. No ...

Radicals of nitroimidazole derivatives: pH dependence of rates of formation and decay related to acid-base equilibria.

Int. J. Radiat. Biol. Relat. Stud. Phys. Chem. Med. 51(5) , 797-809, (1987)

Three analogous 5-nitroimidazoles, having radiosensitizing and cytotoxic properties, have been studied by pulse-radiolysis in N2O-saturated aqueous formate solutions. Rates of formation of the radical...

[Synthesis and antibacterial activity of ciprofloxacin derivatives].

Yao Xue Xue Bao 40(2) , 132-5, (2005)

To study the synthesis and antibacterial activity of ciprofloxacin derivatives.Ciprofloxacin derivatives were synthesized primarily from 2-methyl-5-nitroimidazol and ciprofloxacin through nucleophilic...

 Synonyms

2-Methyl-4-nitro-1H-imidazole
EINECS 211-790-3
MFCD00005191
2-Methyl-4-nitroimidazole
Metronidazole Impurity 1
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