1-(bromomethyl)-2,3-difluorobenzene

• ChemBase ID: 9105
• Molecular Formular: C7H5BrF2
• Molecular Mass: 207.0154064
• Monoisotopic Mass: 205.9542686
• SMILES: BrCc1c(F)c(ccc1)F
• Canonical SMILES: BrCc1cccc(c1F)F
• InChI: InChI=1S/C7H5BrF2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
• InChIKey: FTBSGSZZESQDBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-2,3-difluorobenzene
• IUPAC Traditional name: 1-(bromomethyl)-2,3-difluorobenzene
• Synonyms: alpha-Bromo-2,3-difluorotoluene; 2,3-Difluorobenzyl bromide; 1-(Bromomethyl)-2,3-difluorobenzene; 2,3-Difluorobenzyl bromide 98%; α-Bromo-2,3-difluorotoluene; 2,3-Difluorobenzyl bromide; 1-(bromomethyl)-2,3-difluorobenzene; α-溴-2,3-二氟甲苯; 2,3-二氟苄基溴

Database IDs

• CAS Number: 113211-94-2
• MDL Number: MFCD00042488
• Beilstein Number: 7089244
• PubChem SID: 24886666; 24856065; 160972412
• PubChem CID: 517984

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: 14.543593 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 298 - 300°C
• Flash Point: 194 °F; 90 °C; 90°C; 90°C(194°F)
• Density: 1.628; 1.628 g/mL at 25 °C(lit.)
• Refractive Index: 1.528; 1.5298; n20/D 1.528(lit.)
• Hydrophobicity(logP): 3.14

Safety Information

• Storage Warning: Corrosive/Lachrymatory; LACHRYMATOR, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: 3265; UN1760
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45-60; 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A; 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 3265 8/PG 2

Product Information

• Purity: ≥99.5% (GC); 95%; 97%; 98%
• Grade: purum
• Impurities: ≤0.1% water
• Linear Formula: F2C6H3CH2Br

DETAILS

Sigma Aldrich - 265314

Packaging
1, 5 g in glass bottle