1,4-dichloro-2-fluorobenzene

• ChemBase ID: 94808
• Molecular Formular: C6H3Cl2F
• Molecular Mass: 164.9924232
• Monoisotopic Mass: 163.95958368
• SMILES: Fc1c(ccc(c1)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)F)Cl
• InChI: InChI=1S/C6H3Cl2F/c7-4-1-2-5(8)6(9)3-4/h1-3H
• InChIKey: BJQTYCQGIXZSNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dichloro-2-fluorobenzene
• IUPAC Traditional name: 1,4-dichloro-2-fluorobenzene
• Synonyms: 1,4-Dichloro-2-fluorobenzene; 2,5-Dichlorofluorobenzene 98%; 2,5-Dichlorofluorobenzene; 2,5-Dichloro-1-fluorobenzene; 1,4-Dichloro-2-fluorobenzene; 1,4-Dichloro-2-fluorobenzene; 1,4-二氯-2-氟苯

Database IDs

• CAS Number: 348-59-4
• MDL Number: MFCD00060656
• Beilstein Number: 2355590
• PubChem SID: 162081462
• PubChem CID: 136173

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.324037
• LogD (pH = 7.4): 3.324037
• Log P: 3.324037
• Molar Refractivity: 35.884 cm^3
• Polarizability: 13.882281 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 4°C; 4°C
• Boiling Point: 168°C; 168°C
• Flash Point: 65°C; 65°C(149°F)
• Density: 1.383
• Refractive Index: 1.5245

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 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: 98%; 99%