1,2-dichlorobenzene; phenol

• ChemBase ID: 139252
• Molecular Formular: C12H10Cl2O
• Molecular Mass: 241.1132
• Monoisotopic Mass: 240.0108703
• SMILES: c1ccc(cc1)O.c1ccc(c(c1)Cl)Cl
• Canonical SMILES: Clc1ccccc1Cl.Oc1ccccc1
• InChI: InChI=1S/C6H4Cl2.C6H6O/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-4H;1-5,7H
• InChIKey: WEDPGDLPFLPTFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichlorobenzene; phenol
• IUPAC Traditional name: o-dichlorobenzene; phenol
• Synonyms: Phenol-1,2-dichlorobenzene mixture; 苯酚 - 1,2-二氯苯混合物

Database IDs

• MDL Number: MFCD00236637
• PubChem SID: 162233500
• PubChem CID: 18674617

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1813352
• LogD (pH = 7.4): 3.1813352
• Log P: 3.1813352
• Molar Refractivity: 35.6676 cm^3
• Polarizability: 14.105713 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2927
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/24/25-34-37-48/20/21/22-50/53-68
• Safety Statements: 26-36/37/39-45-61
• GHS Pictograms: GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H314-H330-H335-H341-H373-H410
• GHS Precautionary statements: P260-P273-P280-P284-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2927 6.1/PG 2

Product Information

• Purity: 49.5-50.5% 1,2-dichlorbenzene basis (GC); 49.5-50.5% phenole basis (GC)