Basic information
- Standard SMILES
Cc1c([N+](=O)[O-])ccc(N)c1C(=O)O- InChIKey
MLRJGGLSAKYLRT-UHFFFAOYSA-N- Molecular formula
- C8H8N2O4
- Average molar mass
- 196.16 g/mol
- Monoisotopic mass
- 196.04840674
Names & identifiers
- Preferred name
- 6-Amino-2-methyl-3-nitrobenzoic acid
- IUPAC
- 6-amino-2-methyl-3-nitrobenzoic acid
- English name
- Benzoic acid, 6-amino-2-methyl-3-nitro- (9CI)
- Molecular formula
- C8H8N2O4
- Molecular weight
- 196.16
Names & synonyms
89977-13-96-Amino-2-methyl-3-nitrobenzoic acid6-AMINO-2-METHYL-3-NITRO-BENZOIC ACIDBenzoic acid, 6-amino-2-methyl-3-nitro-MFCD16877766Benzoic acid, 6-amino-2-methyl-3-nitro- (9CI)SCHEMBL7447014DTXSID40570974MLRJGGLSAKYLRT-UHFFFAOYSA-N6-Amino-2-methyl-3-nitrobenzoicacid2-Methyl-3-nitro-6-aminobenzoic acid5-nitro-6-methyl-2-aminobenzoic acid
Show more names
SB39720DB-274615G83852
Database identifiers
- CAS
89977-13-9- PubChem CID
- 15283172
- DTXSID
DTXSID40570974
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Melting point
- 185 · 185-186 °C (decomp)(Solv: ethanol, 10% (64-17-5))
- Boiling point
- 422.2 · 422.2±45.0 °C(Predicted)
- Density
- 1.482 · 1.482±0.06 g/cm3(Predicted)
- pka
- 3.73 · 3.73±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
苏州施亚生物科技有限公司17715136450 · [email protected]
衢州爱美康生物科技有限公司0570-3081766 18357083060 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海智乾生物科技有限公司[email protected]
Related reactions
15 records
Linked notes
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