1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene

• ChemBase ID: 83377
• Molecular Formular: C14H12Br2
• Molecular Mass: 340.05308
• Monoisotopic Mass: 337.93057438
• SMILES: BrCc1c(cccc1)c1c(cccc1)CBr
• Canonical SMILES: BrCc1ccccc1c1ccccc1CBr
• InChI: InChI=1S/C14H12Br2/c15-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16/h1-8H,9-10H2
• InChIKey: VDXGURZGBXUKES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene
• IUPAC Traditional name: 1-(bromomethyl)-2-[2-(bromomethyl)phenyl]benzene
• Synonyms: 2,2′-Bis(bromomethyl)-1,1′-biphenyl; 2,2'-bis(bromomethyl)-1,1'-biphenyl; 2,2′-双(溴甲基)-1,1′-联苯

Database IDs

• CAS Number: 38274-14-5
• MDL Number: MFCD00074910
• PubChem SID: 162070495; 24859399
• PubChem CID: 251962

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.165946
• LogD (pH = 7.4): 5.165946
• Log P: 5.165946
• Molar Refractivity: 76.895 cm^3
• Polarizability: 30.172117 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 90-92 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: 99%
• Linear Formula: BrCH2C6H4C6H4CH2Br

DETAILS

Sigma Aldrich - 330647

Packaging
5, 25 g in glass bottle