4-fluoro-1,2-dimethylbenzene

• ChemBase ID: 8846
• Molecular Formular: C8H9F
• Molecular Mass: 124.1554632
• Monoisotopic Mass: 124.06882851
• SMILES: c1c(cc(c(c1)C)C)F
• Canonical SMILES: Fc1ccc(c(c1)C)C
• InChI: InChI=1S/C8H9F/c1-6-3-4-8(9)5-7(6)2/h3-5H,1-2H3
• InChIKey: WYHBENDEZDFJNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-1,2-dimethylbenzene
• IUPAC Traditional name: 4-fluoro-1,2-dimethylbenzene
• Synonyms: 4-Fluoro-1,2-dimethylbenzene; 3,4-Dimethylfluorobenzene; 4-Fluoro-o-xylene; 1,2-Dimethyl-4-fluorobenzene; 4-Fluoro-o-xylene; 4-fluoro-1,2-dimethylbenzene; 4-Fluoro-o-xylene; 1,2-Dimethyl-4-fluorobenzene 98%; 4-氟邻二甲苯

Database IDs

• CAS Number: 452-64-2
• MDL Number: MFCD00039217
• Beilstein Number: 1856457
• PubChem SID: 160972153
• PubChem CID: 253306

CALCULATED PROPERTIES

• LogD (pH = 7.4): 3.1427906
• Log P: 3.1427906
• Molar Refractivity: 36.3568 cm^3
• Polarizability: 13.504184 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1427906

PROPERTIES

Physical Property

• Boiling Point: 148-149°C; 148-149°C; 50°C/20mm
• Flash Point: 40°C; 40°C(104°F)
• Density: 1; 1.000
• Refractive Index: 1.4815; 1.4825
• Hydrophobicity(logP): 3.233

Safety Information

• Storage Warning: Flammable; IRRITANT, FLAMMABLE
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10
• TSCA Listed: false; 否
• GHS Pictograms: GHS02
• GHS Hazard statements: H226
• GHS Precautionary statements: P261

Product Information

• Purity: 95%; 97%; 98%; 99%