1H-Imidazole-2-carboxaldehyde,1-methyl-5-nitro-

Modify Date: 2025-11-27 17:37:58

1H-Imidazole-2-carboxaldehyde,1-methyl-5-nitro- Structure
1H-Imidazole-2-carboxaldehyde,1-methyl-5-nitro- structure
Common Name 1H-Imidazole-2-carboxaldehyde,1-methyl-5-nitro-
CAS Number 4750-57-6 Molecular Weight 155.11100
Density 1.52g/cm3 Boiling Point 368.8ºC at 760mmHg
Molecular Formula C5H5N3O3 Melting Point N/A
MSDS N/A Flash Point 176.8ºC

 Names

Name 1-methyl-5-nitroimidazole-2-carbaldehyde
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.52g/cm3
Boiling Point 368.8ºC at 760mmHg
Molecular Formula C5H5N3O3
Molecular Weight 155.11100
Flash Point 176.8ºC
Exact Mass 155.03300
PSA 80.71000
LogP 0.66400
Index of Refraction 1.634
InChIKey JLQLFVSTEDRFAD-UHFFFAOYSA-N
SMILES Cn1c([N+](=O)[O-])cnc1C=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NI3892000
CHEMICAL NAME :
Imidazole-2-carboxaldehyde, 1-methyl-5-nitro-
CAS REGISTRY NUMBER :
4750-57-6
BEILSTEIN REFERENCE NO. :
0610005
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H5-N3-O3
MOLECULAR WEIGHT :
155.13
WISWESSER LINE NOTATION :
T5N CNJ A1 BVH ENW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
58 umol/L
REFERENCE :
TCMUD8 Teratogenesis, Carcinogenesis, and Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1980- Volume(issue)/page/year: 3,51,1983

 Safety Information

HS Code 2933290090

 Synthetic Route

~92%

1H-Imidazole-2-carboxaldehyde,1-methyl-5-nitro- Structure

1H-Imidazole-2-...

CAS#:4750-57-6

Literature: Shafiee; Pirouzzadeh; Ghasemian; Parang Journal of Heterocyclic Chemistry, 1992 , vol. 29, # 4 p. 1021 - 1023

~51%

1H-Imidazole-2-carboxaldehyde,1-methyl-5-nitro- Structure

1H-Imidazole-2-...

CAS#:4750-57-6

Literature: Borch, Richard F.; Liu, Jiwen; Schmidt, James P.; Marakovits, Joseph T.; Joswig, Carolyn; Gipp, Jerry J.; Mulcahy, R. Timothy Journal of Medicinal Chemistry, 2000 , vol. 43, # 11 p. 2258 - 2265

~39%

1H-Imidazole-2-carboxaldehyde,1-methyl-5-nitro- Structure

1H-Imidazole-2-...

CAS#:4750-57-6

Literature: Vanelle; Maldonado; Jentzer; Crozet; Savornin; Delmas; Gasquet; Timon-David European Journal of Medicinal Chemistry, 1990 , vol. 25, # 4 p. 321 - 325

~%

1H-Imidazole-2-carboxaldehyde,1-methyl-5-nitro- Structure

1H-Imidazole-2-...

CAS#:4750-57-6

Literature: Nouguier; Crozet; Vanelle; Maldonado Tetrahedron Letters, 1985 , vol. 26, # 45 p. 5523 - 5524

 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-Methyl-5-nitro-1H-imidazole-2-carbaldehyde
1-Methyl-2-formyl-5-nitroimidazole
2-formyl-1-methyl-5-nitroimidazole
1-methyl-5-nitro-2-imidazolecarboxaldehyde
5-nitro-1-methyl-2-formyl-imidazole
1-methyl-5-nitroimidazole-2-carboxaldehyde
EINECS 225-270-9
Imidazole-2-carboxaldehyde,1-methyl-5-nitro
5-nitro-1-methyl-2-imidazolyl carboxaldehyde
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