1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1)
Basic information
- CAS
63451-32-1- Standard SMILES
O=C(O)c1cccc([N+](=O)[O-])c1C(=O)O.c1ccncc1- InChIKey
BEUKKBRRUALXBQ-UHFFFAOYSA-N- Molecular formula
- C13H10N2O6
- Average molar mass
- 290.23 g/mol
- Monoisotopic mass
- 290.05388604
Names & identifiers
- Preferred name
- 1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1)
- IUPAC
- 3-nitrophthalic acid;pyridine
- English name
- 3-nitrophthalic acid, compound with pyridine (1:1)
- Molecular formula
- C13H10N2O6
- Molecular weight
- 290.23
Names & synonyms
Pyridinium 3-nitrophthalate63451-32-1EINECS 264-194-0DTXSID60886600RefChem:71636DTXCID201025924Pyridine, 3-nitrophthalic acid salt3-Nitrophthalic acid, compound with pyridine (1:1)SCHEMBL4763738GAA406733-Nitrobenzene-1,2-dicarboxylic acid--pyridine (1/1)PYRIDINE-3-NITROPHTHALIC ACID)
Database identifiers
- CAS
63451-32-1- PubChem CID
- 113229
- DTXSID
DTXSID60886600- EC Number
- 264-194-0
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 327
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyridines
Physicochemical properties
- EPA Substance Registry System
- 3 · Pyridinium 3-nitrophthalate (63451-32-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazards SummarySee Pyridine. See Phthalic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,2-Benzenedicarboxylic acid, 3-nitro-, compd. with pyridine (1:1): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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