Basic information
- CAS
40361-79-3- Standard SMILES
COC(=O)c1cnc([N+](=O)[O-])n1C- InChIKey
BQTWOZOPNUFRHG-UHFFFAOYSA-N- Molecular formula
- C6H7N3O4
- Average molar mass
- 185.14 g/mol
- Monoisotopic mass
- 185.0436557
Names & identifiers
- Preferred name
- Methyl 3-methyl-2-nitro-3H-imidazole-4-carboxylate
- IUPAC
- methyl 3-methyl-2-nitroimidazole-4-carboxylate
- English name
- 3-Methyl-2-nitro-3H-imidazole-4-carboxylic acid methyl ester
- Molecular formula
- C6H7N3O4
- Molecular weight
- 185.14
Names & synonyms
40361-79-3METHYL 3-METHYL-2-NITRO-3H-IMIDAZOLE-4-CARBOXYLATE3-Methyl-2-nitro-3H-imidazole-4-carboxylic acid methyl esterMETHYL 1-METHYL-2-NITRO-1H-IMIDAZOLE-5-CARBOXYLATEmethyl 3-methyl-2-nitroimidazole-4-carboxylateMFCD06738745NSC307220CHEMBL3247251SCHEMBL28881823DTXSID408789021H-Imidazole-5-carboxylic acid, 1-methyl-2-nitro, methyl esterAKOS006293393
Show more names
3-Methyl-2-nitro-3H-imidazole-4-carboxylic acidmethyl 1-methyl-2-nitro-imidazole-5-carboxylate3-methyl-2-nitro-4-imidazolecarboxylic acid methyl ester1-Methyl-2-nitro-1H-imidazole-5-carboxylic acid methyl ester1H-Imidazole-5-carboxylic acid, 1-methyl-2-nitro-, methyl ester
AB27794NSC 307220NSC-307220AS-30828DB-0699951-ME-2-NO2-5-MEOCARBONYL IMIDAZOLECS-0199781methyl 3-methyl-2-nitro-imidazole-4-carboxylate
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 226
Experimental & physicochemical properties
LogP0.51
Physicochemical properties
- Boiling point
- 374.6 · 374.6±34.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -1.69 · -1.69±0.25(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers25 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海西浦化工有限公司+86 (21) 6715-7650 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海敏寒医药科技有限公司17612188245 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
Shanghai Gubang New Materail Technology Co. LTD21-51317962 +86-18721305404 · [email protected]
上海卡恩医药科技有限公司021-34979681; 17701870669 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
稀有化學（香港）有限公司[email protected]
南京阿斯法姆医药科技有限公司02558867862; 18751812725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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