123-30-8
Product Name:
4-Aminophenol
Formula:
C6H7NO
Synonyms:
4-Aminophenol;4-Hydroxyaniline
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | P-aminophenol appears as white or reddish-yellow crystals or light brown powder. Turns violet when exposed to light. (NTP, 1992) |
|---|---|
| Color/Form | Orthorhombic plates from water |
| Boiling Point | 543 °F at 760 mmHg (Decomposes) (NTP, 1992) |
| Melting Point | 367 to 369 °F (NTP, 1992) |
| Flash Point | 195 °C (383 °F) - closed cup |
| Solubility | less than 1 mg/mL at 73 °F (NTP, 1992) |
| Density | 4-Aminophenol crystals exist in two forms. The alpha form (from alcohol, water, or ethyl acetate) is the more stable and has an orthorhombic pyramidal structure, density 1.290 g/cu cm /alpha-4-Aminophenol/ |
| Vapor Pressure | 0.00004 [mmHg] |
| LogP | log Kow = 0.04 at pH 7.4 |
| Stability/Shelf Life | Deteriorates under influence of air and light |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitric oxides/. |
| Ionization Efficiency | Negative |
| Dissociation Constants | pK1 = 5.48 at 25 °C (conjugate acid) |
| Kovats Retention Index | 1265 1265 1314 1314 1314 1265 |
| Other Experimental Properties | Heat of formation = -190.6 kJ/mol |
| Chemical Classes | Nitrogen Compounds -> Amino Phenols |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H341:Germ cell mutagenicity H373:Specific target organ toxicity, repeated exposure H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 109.13 g/mol |
|---|---|
| XLogP3 | 0 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 109.052763847 g/mol |
| Monoisotopic Mass | 109.052763847 g/mol |
| Topological Polar Surface Area | 46.2 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 66.9 |
| 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-Aminophenol (4-Hydroxyaniline) is an organic building block. It is present as the main contaminant in pharmaceutical formulations of paracetamol. High-performance liquid chromatographic (HPLC) method with amperometric detection has been reported for its determination in various analgesic formulations. It has been reported to be formed from the reduction of 4-nitrophenol (Nip) under metal-free conditions catalyzed by N-doped graphene (NG).