[(1R,2R)-1,2-dibromo-2-phenylethyl]benzene

• ChemBase ID: 301972
• Molecular Formular: C14H12Br2
• Molecular Mass: 340.05308
• Monoisotopic Mass: 337.93057438
• SMILES: c1ccc(cc1)[C@H]([C@@H](c1ccccc1)Br)Br
• Canonical SMILES: Br[C@@H]([C@@H](c1ccccc1)Br)c1ccccc1
• InChI: InChI=1S/C14H12Br2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m1/s1
• InChIKey: GKESIQQTGWVOLH-ZIAGYGMSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1R,2R)-1,2-dibromo-2-phenylethyl]benzene
• IUPAC Traditional name: [(1R,2R)-1,2-dibromo-2-phenylethyl]benzene
• Synonyms: meso-Stilbene dibromide; meso-1,2-Dibromo-1,2-diphenylethane; 内消旋-1,2-二溴-1,2-联苯乙烷

Database IDs

• CAS Number: 13440-24-9
• EC Number: 227-324-7
• MDL Number: MFCD00000137
• Beilstein Number: 2050820

CALCULATED PROPERTIES

• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4399757
• LogD (pH = 7.4): 5.4399757
• Log P: 5.4399757
• Molar Refractivity: 75.1882 cm^3
• Polarizability: 28.927956 Å^3

PROPERTIES

Physical Property

• Melting Point: ca 241°C dec.

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: UN1759
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%