123-30-8

Product Name: 4-Aminophenol

Formula: C6H7NO

Synonyms: 4-Aminophenol;4-Hydroxyaniline

Inquiry

CHEMICAL AND PHYSICAL PROPERTIES SAFETY INFORMATION COMPUTED DESCRIPTORS PRODUCT INTRODUCTION RELATED SUPPLIERS

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 Å²
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).