2-Nitrophenyl benzoate
Basic information
- CAS
1523-12-2- Standard SMILES
O=C(Oc1ccccc1[N+](=O)[O-])c1ccccc1- InChIKey
PNBOBRKDXRJMTL-UHFFFAOYSA-N- Molecular formula
- C13H9NO4
- Average molar mass
- 243.21 g/mol
- Monoisotopic mass
- 243.05315777
Names & identifiers
- Preferred name
- 2-Nitrophenyl benzoate
- IUPAC
- (2-nitrophenyl) benzoate
Names & synonyms
2-nitrophenyl benzoateRefChem:477214661-560-51523-12-2Benzoicacid, 2-nitrophenyl estero-nitrophenyl benzoate(2-nitrophenyl) benzoatenitrophenyl benzoateNSC162274SCHEMBL527543SCHEMBL8585927SCHEMBL30727558
Show more names
Benzoic acid, o-nitropheyl esterDTXSID40303820PNBOBRKDXRJMTL-UHFFFAOYSA-NAKOS002710427NSC-162274
Database identifiers
- CAS
1523-12-2- PubChem CID
- 294244
- DTXSID
DTXSID40303820- EC Number
- 661-560-5
- Nikkaji
- J697.051F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Suppliers
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Related reactions
2 records
Compound notes
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