1-(bromomethyl)-2-fluorobenzene

• ChemBase ID: 7986
• Molecular Formular: C7H6BrF
• Molecular Mass: 189.0249432
• Monoisotopic Mass: 187.96369041
• SMILES: c1ccc(c(c1)CBr)F
• Canonical SMILES: BrCc1ccccc1F
• InChI: InChI=1S/C7H6BrF/c8-5-6-3-1-2-4-7(6)9/h1-4H,5H2
• InChIKey: FFWQLZFIMNTUCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-2-fluorobenzene
• IUPAC Traditional name: 1-(bromomethyl)-2-fluorobenzene
• Synonyms: α-Bromo-2-fluorotoluene; 2-Fluorobenzyl bromide; 3-FLUOROBENZYL BROMIDE; o-Fluorobenzyl bromide; 1-(Bromomethyl)-2-fluorobenzene; 2-Fluorobenzyl bromide; 1-(Bromomethyl)-2-fluorobenzene; alpha-Bromo-2-fluorotoluene; 2-Fluorobenzyl bromide 98%; 2-氟溴苄; 邻氟溴苄; 2-氟苄溴

Database IDs

• CAS Number: 446-48-0; 456-41-7
• EC Number: 207-169-1
• MDL Number: MFCD00000324
• Beilstein Number: 1099894
• PubChem SID: 24852572; 160971293
• PubChem CID: 67968

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.888685
• LogD (pH = 7.4): 2.888685
• Log P: 2.888685
• Molar Refractivity: 39.1248 cm^3
• Polarizability: 14.645251 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 62-64°C/15mm; 84°C/15mm; 84-85 °C/15 mmHg(lit.); 84-85°C/15mm
• Flash Point: 181.4 °F; 82°C; 82°C(179°F); 83 °C
• Density: 1.563; 1.567; 1.567 g/mL at 25 °C(lit.)
• Refractive Index: 1.552; 1.5520; n20/D 1.552(lit.)

Safety Information

• Storage Warning: Corrosive/Lachrymatory/Light Sensitive/Hygroscopic/Store under Argon; LACHRYMATOR, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34; 34-36/37
• Safety Statements: 23-26-27-36/37/39-45; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H318-H227; H314-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310; P280-P305+P351+P338-P309-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 3265 8/PG 2

Product Information

• Purity: 98%
• Linear Formula: FC6H4CH2Br

DETAILS

MP Biomedicals - 05224699

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 209511

Packaging
5, 25 g in glass bottle