3-Nitrophthalamide
Basic information
- CAS
96385-50-1- Standard SMILES
NC(=O)c1cccc([N+](=O)[O-])c1C(N)=O- InChIKey
GMOAOEGBMSRFFQ-UHFFFAOYSA-N- Molecular formula
- C8H7N3O4
- Average molar mass
- 209.16 g/mol
- Monoisotopic mass
- 209.04365571
Names & identifiers
- Preferred name
- 3-Nitrophthalamide
- IUPAC
- 3-nitrobenzene-1,2-dicarboxamide
- English name
- 3-Nitrophthalamide
- Molecular formula
- C8H7N3O4
- Molecular weight
- 209.16
Names & synonyms
3-Nitrophthalamide96385-50-13-nitrobenzene-1,2-dicarboxamide3-nitrophthaldiaMideMFCD011157901,2-Benzenedicarboxamide, 3-nitro-SCHEMBL1315874DTXSID903982213-nitro-benzene-1,2-dicarboxamideAKOS002685616AS-62066DB-080425
Show more names
3-aMinephthaldiaMide3-nitro-1,2-Benzenedicarboxamide
D96094F844703SR-01000407542SR-01000407542-1
Database identifiers
- CAS
96385-50-1- PubChem CID
- 3956153
- DTXSID
DTXSID90398221- EC Number
- 619-209-9
- Nikkaji
- J1.635.209H
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 217 · 217-220 °C(lit.)
- storage temp.
- 2 · 2-8°C
- CAS DataBase Reference
- 96385 · 96385-50-1(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- WGK Germany
- 3 · 3
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
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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