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2-Nitrobenzoic Acid · CAS 552-16-9 · C7H5NO4. UNII S6S4653K7Z. Melting Point: 297 to 298 °F (NTP, 1992); Vapor Pressure: 0.0000714 [mmHg]; LogP: 1.46.
| CAS Registry Number | 552-16-9 |
|---|---|
| PubChem CID | 11087 |
| Molecular formula | C7H5NO4 |
| IUPAC name | 2-nitrobenzoic acid |
| UNII (FDA) | S6S4653K7Z |
| Molecular Weight | 167.12 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 167.02185764 |
| Monoisotopic Mass | 167.02185764 |
| Topological Polar Surface Area | 83.1 |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Melting Point | 297 to 298 °F (NTP, 1992) |
|---|---|
| Vapor Pressure | 0.0000714 [mmHg] |
| LogP | 1.46 |
| Ionization Efficiency | 1.57 |
| Ionization Efficiency | 2.7 |
| Ionization Efficiency | MeCN (80%) |
| Ionization Efficiency | -0.58 |
| Ionization Efficiency | 10.5 |
| Reported hazard statements | H315 (100%), H319 (100%), H335 (98.6%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
2-NITROBENZOIC ACID; 552-16-9; o-Nitrobenzoic acid; Benzoic acid, 2-nitro-; DTXSID5025738; ortho-nitrobenzoic acid; CCRIS 2334; S6S4653K7Z; NSC 9576; EINECS 209-004-9; DTXCID005738; AI3-08821; NSC-9576; UNII-S6S4653K7Z; NITROBENZOIC ACID, 2-; CCRIS-2334
CAS 552-16-9; molecular formula C7H5NO4; molecular weight — g/mol.
2-NITROBENZOIC ACID, 552-16-9, o-Nitrobenzoic acid, Benzoic acid, 2-nitro-, DTXSID5025738, ortho-nitrobenzoic acid.
Hazard statements reported: H315, H319, H335.
Melting Point: 297 to 298 °F (NTP, 1992); Vapor Pressure: 0.0000714 [mmHg]; LogP: 1.46; Ionization Efficiency: 1.57.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.