2-amino-5-chlorophenol

• ChemBase ID: 68705
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: c1(c(ccc(c1)Cl)N)O
• Canonical SMILES: Clc1ccc(c(c1)O)N
• InChI: InChI=1S/C6H6ClNO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H,8H2
• InChIKey: FZCQMIRJCGWWCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-chlorophenol
• IUPAC Traditional name: 2-amino-5-chlorophenol
• Synonyms: 2-Amino-5-chlorophenol; 2-Amino-5-chlorophenol; 2-Amino-5-chlorophenol; 4-Chloro-2-hydroxyaniline; 2-氨基-5-氯苯酚

Database IDs

• CAS Number: 28443-50-7
• EC Number: 249-020-3
• MDL Number: MFCD02093863
• PubChem SID: 24879253; 162034435
• PubChem CID: 91591

CALCULATED PROPERTIES

• Acid pKa: 9.537481
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4396311
• LogD (pH = 7.4): 1.4415588
• Log P: 1.4447992
• Molar Refractivity: 37.5441 cm^3
• Polarizability: 13.95514 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145-153 °C(lit.); 147-151°C
• Hydrophobicity(logP): 1.64

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%; 95+%; 97%
• Linear Formula: H2NC6H3(Cl)OH

DETAILS

Sigma Aldrich - 552224

Packaging
5, 25 g in glass bottle