1,3-dichloro-2-fluorobenzene

• ChemBase ID: 9137
• Molecular Formular: C6H3Cl2F
• Molecular Mass: 164.9924232
• Monoisotopic Mass: 163.95958368
• SMILES: c1ccc(c(c1Cl)F)Cl
• Canonical SMILES: Clc1cccc(c1F)Cl
• InChI: InChI=1S/C6H3Cl2F/c7-4-2-1-3-5(8)6(4)9/h1-3H
• InChIKey: JORVCRLRRRRLFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dichloro-2-fluorobenzene
• IUPAC Traditional name: 1,3-dichloro-2-fluorobenzene
• Synonyms: 2,6-Dichlorofluorobenzene; 1,3-Dichloro-2-fluorobenzene; 2,6-Dichlorofluorobenzene 99%; 2,6-Dichloro-1-fluorobenzene; 1,3-dichloro-2-fluorobenzene; 1,3-Dichloro-2-fluorobenzene; 1,3-二氯-2-氟苯

Database IDs

• CAS Number: 2268-05-5
• EC Number: 000-000-0
• MDL Number: MFCD00010307
• Beilstein Number: 1862513
• PubChem SID: 160972444; 24859420
• PubChem CID: 137520

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: 13.908944 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 36-38°C; 36-40°C; 37 - 40°C; 37-40 °C(lit.); 37-40°C
• Boiling Point: 168-169 °C(lit.); 168-169°C; 168-169°C; 81-82°C/45mm
• Flash Point: 140 °F; 60 °C; 60°C; 73°C(163°F)
• Hydrophobicity(logP): 3.711

Safety Information

• Storage Warning: Flammable/Irritant; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1325
• German water hazard class: 2
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H315-H319-H335; H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: 95%; 97%; 98%; 99%
• Linear Formula: Cl2C6H3F

DETAILS

Sigma Aldrich - 323918

Packaging
1, 5 g in glass bottle