2,3-dichlorophenol

• ChemBase ID: 90965
• Molecular Formular: C6H4Cl2O
• Molecular Mass: 163.00136
• Monoisotopic Mass: 161.96392011
• SMILES: Oc1c(c(ccc1)Cl)Cl
• Canonical SMILES: Clc1c(O)cccc1Cl
• InChI: InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
• InChIKey: UMPSXRYVXUPCOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-dichlorophenol
• IUPAC Traditional name: 2,3-dichlorophenol
• Synonyms: 2,3-Dichlorophenol 97%; 2,3-Dichlorophenol; 2,3-DICHLOROPHENOL; 2,3-二氯苯酚

Database IDs

• CAS Number: 576-24-9
• EC Number: 209-399-8
• MDL Number: MFCD00002160
• Beilstein Number: 2043615
• PubChem SID: 24894064; 162077669
• PubChem CID: 11334

CALCULATED PROPERTIES

• Acid pKa: 7.355036
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8717916
• LogD (pH = 7.4): 2.5571327
• Log P: 2.87777
• Molar Refractivity: 37.6485 cm^3
• Polarizability: 14.782377 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 55-57 °C(lit.); 56-57 °C; 57-60°C; 58-60°C
• Boiling Point: 205-207°C; 206 °C(lit.); 206°C
• Flash Point: 115 °C; 115°C(239°F); 239 °F

Safety Information

• Storage Warning: Irritant
• RTECS: SK8450000
• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: 2020; UN2020
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 21/22-36/37/38-51/53; 22-36/38
• Safety Statements: 26-28; 26-36/37-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H335-H411-H401; H315-H319
• GHS Precautionary statements: P280H-P273-P305+P351+P338-P337+P313; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 2020 6.1/PG 3

Product Information

• Purity: ≥98.0% (HPLC); 97%; 98%; 98+%
• Grade: purum
• Linear Formula: Cl2C6H3OH

DETAILS

MP Biomedicals - 05201982

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D69807

Packaging
25, 100 g in glass bottle