Basic information
- CAS
6307-12-6- Standard SMILES
O=C(O)c1ccccc1C(=O)Nc1ccccc1[N+](=O)[O-]- InChIKey
ZBUFPOWZVYVWNV-UHFFFAOYSA-N- Molecular formula
- C14H10N2O5
- Average molar mass
- 286.24 g/mol
- Monoisotopic mass
- 286.05897142
Names & identifiers
- Preferred name
- 2'-Nitrophthalanilic acid
- IUPAC
- 2-[(2-nitrophenyl)carbamoyl]benzoic acid
- English name
- 2'-Nitrophthalanilic acid
- Molecular formula
- C14H10N2O5
- Molecular weight
- 286.24
Names & synonyms
2'-nitrophthalanilic acidRefChem:439723669-089-72-[(2-nitrophenyl)carbamoyl]benzoic acid6307-12-6MLS000737030NSC41066Phthalanilic acid, 2'-nitro-SCHEMBL7825604CHEMBL1460601DTXSID40285213HMS2758A15
Show more names
Benzoic acid, 2-[[(2-nitrophenyl)amino]carbonyl]-
NSC-41066AKOS002819713SMR0003939862-(2-nitrophenylaminocarbonyl)benzoic acid2-[N-(2-nitrophenyl)carbamoyl]benzoic acidST45184341N-(2-Nitrophenyl)benzamide-2-carboxylic acid
Database identifiers
- CAS
6307-12-6- PubChem CID
- 237481
- DTXSID
DTXSID40285213- ChEMBL
CHEMBL1460601- EC Number
- 669-089-7
- Nikkaji
- J996.157G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 420
Physicochemical properties
- Melting point
- 192 °C · 192 °C
- Boiling point
- 425.5 · 425.5±30.0 °C(Predicted)
- Density
- 1.485 · 1.485±0.06 g/cm3(Predicted)
- pka
- 3.41 · 3.41±0.36(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H400
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P273-P391-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H319-H400
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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