CAS 123-30-8 p-Aminophenol - Materials / Alfa Chemistry

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p-Aminophenol

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Catalog Number

ACM123308-1

Product Name

p-Aminophenol

Structure

CAS

123-30-8

Category

Liquid Crystal (LC) Building Blocks

Description

P-aminophenol appears as white or reddish-yellow crystals or light brown powder. Turns violet when exposed to light. (NTP, 1992);DryPowder;Solid

IUPAC Name

4-aminophenol

Molecular Weight

109.13g/mol

Molecular Formula

C6H7NO

Canonical SMILES

C1=CC(=CC=C1N)O

InChI

InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2

InChI Key

PLIKAWJENQZMHA-UHFFFAOYSA-N

Boiling Point

543 °F at 760 mm Hg (Decomposes) (NTP, 1992);284.0 °C;284 °C at 760 mm Hg, decomposes; 167 °C at 8.0 mm Hg; 150 °C at 3.0 mm Hg; 130.2 °C at 0.3 mm Hg;187.5°C

Melting Point

367 to 369 °F (NTP, 1992);187.5 °C;187.5 °C

Flash Point

195 °C (383 °F) - closed cup

Solubility

less than 1 mg/mL at 73° F (NTP, 1992);0.15 M;Solubility in water: 0.39% at 0 °C; 0.65% at 24 °C; 0.80% at 30 °C; in ethyl methyl ketone: 9.3% at 58.5 °C; in absolute ethanol: 4.5% at 0 °C; practically insoluble in benzene and chloroform;Slightly soluble in toluene, diethyl ether, ethanol, cold water; soluble in acetonitrile, ethyl acetate, acetone, hot water; very soluble in dimethylsulfoxide.;Very soluble in ethanol; insoluble in benzene, chloroform; slightly soluble in trifluoroacetic acid; soluble in alkalies;In water, 1.6X10+3 mg/L at 20 °C;16.0 mg/mL

Color/Form

Orthorhombic plates from water;White plates from water;Colorless crystals;White or reddish yellow crystals turn violet on exposure to light

Complexity

66.9

Covalently-Bonded Unit Count

EC Number

204-616-2

Exact Mass

109.052764g/mol

Formal Charge

Heavy Atom Count

Log P

0.04 (LogP);log Kow = 0.04 at pH 7.4;0.04

MeSH Entry Terms

4-aminophenol;4-aminophenol conjugate monoacid;4-aminophenol hydrochloride;4-aminophenol monopotassium salt;4-aminophenol monosodium salt;4-aminophenol sulfate;4-aminophenol sulfate (2:1);4-aminophenol, 18O-labeled;4-aminophenol, 3H-labeled;4-aminophenol, ion(1+);4-hydroxyaniline;p-aminophenol;p-aminophenol phosphate;para-aminophenol

Monoisotopic Mass

109.052764g/mol

NSC Number

1545

Other Experimental

BP: Can be sublimed at 0.3 mm Hg and 110 °C without decomposition ... forms salts with acids and bases ... Deteriorates under the influence of air and light ... Commercial product usually pink ... MP of commercial product 186 °C;Heat of formation = -190.6 kJ/mol;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/;4-Aminophenol crystals exist in two forms. The less stable beta form (from acetone) exists as acicular crystals that turn into the alpha form on standing; they are orthorhombic bipyramidal or pyramidal /beta-4-Aminophenol/;Crystalline powder; gradually becomes darker. Decomposes about 306 °C. Very soluble in water; soluble in alcohol /p-Aminophenol hydrochloride/;Henry's Law constant = 3.6X10-10 atm-cu m/mole at 25 °C (est);Hydroxyl radical reaction rate constant = 7.4X10-11 cu cm/molecule-sec at 25 °C (est)

Rotatable Bond Count

Stability

Deteriorates under influence of air and light

UNII

R7P8FRP05V

UN Number

2512

Vapor Pressure

4.00e-05 mmHg;4.0X10-5 mm Hg at 25 °C

XLogP3

MSDS

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