62-23-7
Product Name:
4-Nitrobenzoic acid
Formula:
C7H5NO4
Synonyms:
4-Nitrobenzoic acid;Benzocaine impurity E (PhEur)
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | P-nitrobenzoic acid appears as odorless pale yellow crystals. (NTP, 1992) |
|---|---|
| Color/Form | Monoclinic leaf from water crystallization |
| Boiling Point | Sublimes (NTP, 1992) |
| Melting Point | 468 °F (NTP, 1992) |
| Flash Point | 396 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 79 °F (NTP, 1992) |
| Density | 1.55 at 90 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 0.00000253 [mmHg] |
| LogP | log Kow = 1.89 |
| Autoignition Temperature | 300 °C |
| Decomposition | When heat to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Heat of Combustion | 3881 kJ/mol |
| pH | pH = 2.80 |
| Ionization Efficiency | Negative |
| Dissociation Constants | pKa = 3.44 |
| Kovats Retention Index | 1543 |
| Other Experimental Properties | Heat of fusion = 37.02 kJ/mol; heat of fusion = 37.02 kJ/mol |
| Chemical Classes | Nitrogen Compounds -> Nitrobenzoic Acids |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H341:Germ cell mutagenicity H351:Carcinogenicity |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 167.12 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 167.02185764 g/mol |
| Monoisotopic Mass | 167.02185764 g/mol |
| Topological Polar Surface Area | 83.1 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 190 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-nitrobenzoic acid is a nitrobenzoic acid with the nitro group at the 4-position. It is functionally related to benzoic acid. It is a conjugate acid of a 4-nitrobenzoate.