2-amino-4-chlorophenol

• ChemBase ID: 110542
• Molecular Formular: C6H6ClNO
• Molecular Mass: 143.57094
• Monoisotopic Mass: 143.0137915
• SMILES: Nc1cc(Cl)ccc1O
• Canonical SMILES: Clc1ccc(c(c1)N)O
• InChI: InChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2
• InChIKey: SWFNPENEBHAHEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-chlorophenol
• IUPAC Traditional name: phenol, 2-amino-4-chloro-
• Synonyms: 2-amino-4-chlorophenol; 5-Chloro-2-hydroxyaniline; 2-Amino-4-chlorophenol; 2-AMINO-4-CHLOROPHENOL PRACTICAL GRADE; 5-氯-2-羟基苯胺; 2-氨基-4-氯苯酚

Database IDs

• CAS Number: 95-85-2
• EC Number: 202-458-9
• MDL Number: MFCD00007694
• Beilstein Number: 774859
• PubChem SID: 24892694; 162095995
• PubChem CID: 7265

CALCULATED PROPERTIES

• Acid pKa: 9.758461
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4406618
• LogD (pH = 7.4): 1.4428383
• Log P: 1.4447992
• Molar Refractivity: 37.5441 cm^3
• Polarizability: 13.95839 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136-141 °C(lit.); 138-142°C

Safety Information

• RTECS: SJ5700000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 2673; UN2673
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 22-36/37/38; R:22
• Safety Statements: 26-36; 26-36/37; S:36/37/39
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2673 6.1/PG 2

Product Information

• Purity: 97%; 98%
• Grade: PRACTICAL
• Linear Formula: H2NC6H3(Cl)OH

DETAILS

MP Biomedicals - 05215484

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C44400

Packaging
5, 100, 500 g in glass bottle