2-Methyl-4-nitro-1H-imidazole-1-acetic acid

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Names

[ CAS No. ]:
16230-87-8

[ Name ]:
2-Methyl-4-nitro-1H-imidazole-1-acetic acid

[Synonym ]:
2-(2-methyl-4-nitroimidazolyl)acetic acid
1-carboxymethyl-2-methyl-4-nitroimidazole
1-Carboxymethyl-2-methyl-4-nitro-imidazol
(2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid
(2-methyl-4-nitro-imidazol-1-yl)-acetic acid
Imidazole-1-acetic acid,2-methyl-4-nitro
2-Methyl-4-nitro-1-imidazolylessigsaure
2-Methyl-4-nitroimidazole-1-acetic acid

Chemical & Physical Properties

[ Density]:
1.6g/cm3

[ Boiling Point ]:
475.9ºC at 760mmHg

[ Molecular Formula ]:
C6H7N3O4

[ Molecular Weight ]:
185.13700

[ Flash Point ]:
241.6ºC

[ Exact Mass ]:
185.04400

[ PSA ]:
100.94000

[ LogP ]:
0.70750

[ Vapour Pressure ]:
7.28E-10mmHg at 25°C

[ Index of Refraction ]:
1.646

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI3380000
CHEMICAL NAME :
Imidazole-1-acetic acid, 2-methyl-4-nitro-
CAS REGISTRY NUMBER :
16230-87-8
BEILSTEIN REFERENCE NO. :
0615160
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H7-N3-O4
MOLECULAR WEIGHT :
185.16
WISWESSER LINE NOTATION :
T5N CNJ A1VQ B1 DNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Klebsiella pneumoniae
DOSE/DURATION :
1 mmol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 86,243,1981

Safety Information

[ HS Code ]:
2933290090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-methyl-1,4-dinitroimidazole
  • Glycine
  • ethyl 2-(2-methyl-4-nitro-imidazol-1-yl)acetate

DownStream

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%

Related Compounds

  • (2-METHYL-4-NITRO-IMIDAZOL-1-YL)-ACETIC ACID HYDRAZIDE
  • 3-[(4-chlorophenyl)sulfonyl]-2-methyl-4-nitro-1H-indole-1-acetic acid ethyl ester
  • Metronidazole acetic acid
  • ethyl 2-(2-methyl-4-nitro-imidazol-1-yl)acetate
  • 1-(2-Ethoxyethyl)-2-methyl-4-nitro-1H-imidazole
  • 1-(2-Chloroethyl)-2-methyl-4-nitro-1H-imidazole