2,4-dichloro-1-fluorobenzene

• ChemBase ID: 9133
• Molecular Formular: C6H3Cl2F
• Molecular Mass: 164.9924232
• Monoisotopic Mass: 163.95958368
• SMILES: c1c(cc(c(c1)F)Cl)Cl
• Canonical SMILES: Clc1ccc(c(c1)Cl)F
• InChI: InChI=1S/C6H3Cl2F/c7-4-1-2-6(9)5(8)3-4/h1-3H
• InChIKey: BDJZCCWUSOZUQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-1-fluorobenzene
• IUPAC Traditional name: 2,4-dichloro-1-fluorobenzene
• Synonyms: 2,4-Dichlorofluorobenzene; 2,4-Dichloro-1-fluorobenzene; 2,4-Dichlorofluorobenzene 99%; 2,4-Dichloro-1-fluorobenzene; 1,3-Dichloro-4-fluorobenzene; 2,4-Dichloro-1-fluorobenzene; 2,4-二氯-1-氟苯; 1,3-二氯-4-氟苯

Database IDs

• CAS Number: 1435-48-9
• EC Number: 406-160-1
• MDL Number: MFCD00000580
• Beilstein Number: 2500791
• PubChem SID: 24858755; 160972440
• PubChem CID: 123112

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: 13.880775 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -23°C; -23°C
• Boiling Point: 172-174 °C(lit.); 172-174°C; 172-174°C
• Flash Point: 37 °C; 37°C; 79°C(174°F); 98.6 °F
• Density: 1.409; 1.409 g/mL at 25 °C(lit.)
• Refractive Index: 1.525; 1.5250; n20/D 1.525(lit.)

Safety Information

• Storage Warning: Flammable/Harmful/Irritant; IRRITANT
• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: 1993; UN2810
• German water hazard class: 3
• Hazard Class: 3; 6.1
• Packing Group: 3; III
• Risk Statements: 22-38-48/20/22-51/53
• Safety Statements: 36/37-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07; GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H302-H315-H373-H411; H373-H302-H315-H227
• GHS Precautionary statements: P210-P260-P302+P352-P321-P403+P235-P501A; P273
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 98%; 99%
• Linear Formula: Cl2C6H3F