1-(bromomethyl)-2,4-difluorobenzene

• ChemBase ID: 9109
• Molecular Formular: C7H5BrF2
• Molecular Mass: 207.0154064
• Monoisotopic Mass: 205.9542686
• SMILES: BrCc1c(F)cc(cc1)F
• Canonical SMILES: BrCc1ccc(cc1F)F
• InChI: InChI=1S/C7H5BrF2/c8-4-5-1-2-6(9)3-7(5)10/h1-3H,4H2
• InChIKey: IBLMYGXJKQIGSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-2,4-difluorobenzene
• IUPAC Traditional name: 1-(bromomethyl)-2,4-difluorobenzene
• Synonyms: 2,4-Difluorobenzyl bromide; 1-(Bromomethyl)-2,4-difluorobenzene; 2,4-Difluorobenzyl bromide 98%; α-Bromo-2,4-difluorotoluene; 2,4-Difluorobenzyl bromide; alpha-Bromo-2,4-difluorotoluene; 1-(Bromomethyl)-2,4-difluorobenzene; α-溴-2,4-二氟甲苯; 2,4-二氟苄基溴

Database IDs

• CAS Number: 23915-07-3
• EC Number: 245-938-3
• MDL Number: MFCD00011649
• Beilstein Number: 4177539
• PubChem SID: 160972416; 24856014
• PubChem CID: 90297

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.031387
• LogD (pH = 7.4): 3.031387
• Log P: 3.031387
• Molar Refractivity: 39.3412 cm^3
• Polarizability: 14.545445 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 28°C/0.4mm; 42-43°C/1mm; 42-43°C/1mm
• Flash Point: 104 °F; 40 °C; 40°C; 85°C(185°F)
• Density: 1.613; 1.613 g/mL at 25 °C(lit.)
• Refractive Index: 1.525; 1.5250; n20/D 1.525(lit.)

Safety Information

• Storage Warning: Corrosive/Flammable/Lachrymatory/Light Sensitive; LACHRYMATOR, FLAMMABLE, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: 2920; UN1760
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 10-34-42/43; 34-43
• Safety Statements: 20-23-26-36/37/39-45; 23-26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314-H317-H334; H314-H318-H317-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2920 8/PG 2

Product Information

• Purity: 95+%; 98%; 98+%
• Linear Formula: F2C6H3CH2Br

DETAILS

Sigma Aldrich - 264415

Packaging
5, 25 g in glass bottle