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123-30-8

123-30-8 structural image
Product Name: 4-Aminophenol
Formula: C6H7NO
Synonyms: 4-Aminophenol;4-Hydroxyaniline
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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).

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