2-(bromomethyl)-1,4-difluorobenzene

• ChemBase ID: 9106
• Molecular Formular: C7H5BrF2
• Molecular Mass: 207.0154064
• Monoisotopic Mass: 205.9542686
• SMILES: BrCc1c(F)ccc(c1)F
• Canonical SMILES: BrCc1cc(F)ccc1F
• InChI: InChI=1S/C7H5BrF2/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
• InChIKey: ONWGSWNHQZYCFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-1,4-difluorobenzene
• IUPAC Traditional name: 2-(bromomethyl)-1,4-difluorobenzene
• Synonyms: alpha-Bromo-2,5-difluorotoluene; 2,5-Difluorobenzyl bromide 98%; 2,5-Difluorobenzyl bromide; 2-(bromomethyl)-1,4-difluorobenzene; α-Bromo-2,5-difluorotoluene; 2,5-Difluorobenzyl bromide; 2,5-二氟溴苄; α-溴-2,5-二氟甲苯; 2,5-二氟苄基溴

Database IDs

• CAS Number: 85117-99-3
• EC Number: 285-651-0
• MDL Number: MFCD00009897
• Beilstein Number: 7089248
• PubChem SID: 24856015; 160972413
• PubChem CID: 522830

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: 14.545785 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 16 °C; 60.8 °F
• Density: 1.609; 1.609 g/mL at 25 °C(lit.)
• Refractive Index: 1.526; 1.5260; n20/D 1.526(lit.)
• Hydrophobicity(logP): 3.21

Safety Information

• Storage Warning: Highly Flammable/Corrosive; LACHRYMATOR, CORROSIVE
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2924; UN3265
• German water hazard class: 3
• Hazard Class: 3; 8
• Packing Group: 2; III
• Risk Statements: 11-34; 34
• Safety Statements: 26-36/37/39-45; 9-16-20-23-26-33-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H314; H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; P210-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 2924 3/PG 2

Product Information

• Purity: 95%; 97%; 98%
• Linear Formula: F2C6H3CH2Br

DETAILS

Sigma Aldrich - 264423

Packaging
1, 10 g in glass bottle