(2,6-difluorophenyl)methanol

• ChemBase ID: 9111
• Molecular Formular: C7H6F2O
• Molecular Mass: 144.1187464
• Monoisotopic Mass: 144.03867125
• SMILES: c1ccc(c(c1F)CO)F
• Canonical SMILES: OCc1c(F)cccc1F
• InChI: InChI=1S/C7H6F2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
• InChIKey: LVICICZQETYOGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-difluorophenyl)methanol
• IUPAC Traditional name: benzenemethanol, 2,6-difluoro-
• Synonyms: 2,6-Difluorobenzyl alcohol; 2,6-Difluorobenzyl alcohol; 2,6-Difluorobenzyl alcohol 98%; (2,6-difluorophenyl)methanol; 2,6-二氟苄基醇

Database IDs

• CAS Number: 19064-18-7
• EC Number: 242-792-2
• MDL Number: MFCD00004603
• Beilstein Number: 2501536
• PubChem SID: 160972418
• PubChem CID: 87921

CALCULATED PROPERTIES

• Acid pKa: 14.051763
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4912999
• LogD (pH = 7.4): 1.4912999
• Log P: 1.4912999
• Molar Refractivity: 33.3067 cm^3
• Polarizability: 12.247168 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 87-88°C/14mm; 88°C/14mm
• Flash Point: 88°C; 88°C(190°F)
• Density: 1.3; 1.300
• Refractive Index: 1.495; 1.4950
• Hydrophobicity(logP): 1.39

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%; 97%; 98%