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

• ChemBase ID: 137972
• 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+
• InChIKey: GKESIQQTGWVOLH-OKILXGFUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1R,2S)-1,2-dibromo-2-phenylethyl]benzene
• IUPAC Traditional name: [(1R,2S)-1,2-dibromo-2-phenylethyl]benzene
• Synonyms: Stilbene dibromide; meso-1,2-Dibromo-1,2-diphenylethane; 1,2-二溴-1,2-联苯乙烷; 内消旋-1,2-二溴-1,2-二苯基乙烷

Database IDs

• CAS Number: 13440-24-9
• MDL Number: MFCD00085299
• PubChem SID: 162232231; 24846737
• PubChem CID: 2753450

CALCULATED PROPERTIES

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

PROPERTIES

Physical Property

• Melting Point: 241 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 22-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314
• GHS Precautionary statements: 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 1759 8/PG 3

Product Information

• Purity: ≥97%
• Linear Formula: C6H5CH(Br)CH(Br)C6H5

DETAILS

Sigma Aldrich - 106550

Frequently Asked Questions
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Packaging
5, 25, 100 g in glass bottle