2-bromo-1,3-difluorobenzene

• ChemBase ID: 6597
• Molecular Formular: C6H3BrF2
• Molecular Mass: 192.9888264
• Monoisotopic Mass: 191.93861854
• SMILES: Brc1c(F)cccc1F
• Canonical SMILES: Fc1cccc(c1Br)F
• InChI: InChI=1S/C6H3BrF2/c7-6-4(8)2-1-3-5(6)9/h1-3H
• InChIKey: HRZTZLCMURHWFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-1,3-difluorobenzene
• IUPAC Traditional name: 2-bromo-1,3-difluorobenzene
• Synonyms: 1-Bromo-2,6-difluorobenzene; 1-Bromo-2,6-difluorobenzene; 1-Bromo-2,6-difluorobenzene; 2,6-Difluorobromobenzene; 2-Bromo-1,3-difluorobenzene; 2,6-Difluorobromobenzene; 2-Bromo-1,3-difluorobenzene; 2,6-Difluorobromobenzene 98%; 2-Bromo-1,3-difluorobenzene; 1-溴-2,6-二氟苯; 2-溴-1,3-二氟苯

Database IDs

• CAS Number: 64248-56-2
• EC Number: 264-750-2
• MDL Number: MFCD00009894
• Beilstein Number: 1681053
• PubChem SID: 24855974; 160969904
• PubChem CID: 123557

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0274024
• LogD (pH = 7.4): 3.0274024
• Log P: 3.0274024
• Molar Refractivity: 34.1136 cm^3
• Polarizability: 12.879396 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 61°C/35mm; 61°C/35mm
• Flash Point: 127.4 °F; 53 °C; 53°C; 53°C(127°F)
• Density: 1.71; 1.710
• Refractive Index: 1.51; 1.5100; 1.5110; n20/D 1.51(lit.)

Safety Information

• Storage Warning: Flammable/Irritant/Light Sensitive; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• 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: 97%; 98%
• Linear Formula: BrC6H3F2

DETAILS

MP Biomedicals - 05206174

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 263451

Packaging
10 g in glass bottle