CAS 95-55-6 2-Aminophenol - Materials / Alfa Chemistry

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Ligands for Functional Metal Complexes

2-Aminophenol

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Catalog Number

ACM95556

Product Name

2-Aminophenol

Structure

CAS

95-55-6

Category

Ligands for Functional Metal Complexes

Description

O-aminophenol appears as off-white crystals or beige powder. (NTP, 1992);COLOURLESS-TO-WHITE CRYSTALS. TURNS DARK ON EXPOSURE TO AIR OR LIGHT.

IUPAC Name

2-aminophenol

Molecular Weight

109.13g/mol

Molecular Formula

C6H7NO;C6H4(OH)(NH2);C6H7NO

Canonical SMILES

C1=CC=C(C(=C1)N)O

InChI

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

InChI Key

CDAWCLOXVUBKRW-UHFFFAOYSA-N

Boiling Point

Sublimes at 307° F at 11 mm Hg (NTP, 1992);Sublimes at 153 °C

Melting Point

342 to 343 °F (NTP, 1992);174.0 °C;170-174 °C

Flash Point

168 °C (334 °F) - closed cup;>175 °C c.c.

Density

1.328 (NTP, 1992);1.328 g/cu cm at 25 °C;1.3 g/cm³

Solubility

less than 0.1 mg/mL at 70° F (NTP, 1992);0.18 M;1 g dissolves in 50 mL cold water, 23 mL alcohol;Slightly soluble in toluene, chloroform, and cold water; soluble in ethanol, and hot water, very soluble in acetonitrile, ethyl acetate, acetone, dimethyl sulfoxide;Soluble in ethyl ether; very soluble in ethanol; slightly soluble in benzene, trifluoroacetic acid;In water, 2.0X10+3 mg/L at 20 °C;Solubility in water, g/100ml at 20 °C: 1.7

Color/Form

Crystals, rapidly becoming brown;White orthorhombic bipyramidal needles from benzene or water;White crystals; turn brown with age;COLORLESS RHOMBIC NEEDLES OR PLATES

Complexity

74.9

Covalently-Bonded Unit Count

EC Number

202-431-1

Exact Mass

109.052764g/mol

Formal Charge

Heavy Atom Count

ICSC Number

0824

Log P

0.62 (LogP);log Kow = 0.62;0.62

MeSH Entry Terms

2-aminophenol;2-aminophenol, hydrochloride;2-aminophenol, ion (1+);2-aminophenol, monopotassium salt;2-aminophenol, monosodium salt;o-aminophenol;ortho-aminophenol

Monoisotopic Mass

109.052764g/mol

NSC Number

1534

Other Experimental

MP: 172-173 °C; sublimes on further heating;At reduced pressure (1.47 kPa), 2-aminophenol sublimes rapidly at 153 °C without decomposition;Heat of formation = -191 kJ/mol;LOW VOLATILITY;Crystals readily becoming gray on exposure to light. Freely soluble in water or alcohol /o-Aminophenol hydrochloride/;Henry's Law constant = 2X10-10 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

RTECS Number

SJ4950000

Stability

Crystals readily becoming gray on exposure to light /Hydrochloride/

UNII

23RH73DZ65

UN Number

2512;2512;2512

Vapor Density

Relative vapor density (air = 1): 3.77

Vapor Pressure