1-bromo-2-(2-bromophenyl)benzene

• ChemBase ID: 70201
• Molecular Formular: C12H8Br2
• Molecular Mass: 311.99992
• Monoisotopic Mass: 309.89927426
• SMILES: c1(c(cccc1)Br)c1c(cccc1)Br
• Canonical SMILES: Brc1ccccc1c1ccccc1Br
• InChI: InChI=1S/C12H8Br2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
• InChIKey: DRKHIWKXLZCAKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-(2-bromophenyl)benzene
• IUPAC Traditional name: 1-bromo-2-(2-bromophenyl)benzene
• Synonyms: 2,2'-Dibromobiphenyl; 2,2'-DibroMo-1,1'-biphenyl; 2,2-Dibromobiphenyl; 2,2′-Dibromobiphenyl; 2,2'-二溴联苯基; 2,2′-双溴双苯

Database IDs

• CAS Number: 13029-09-9
• MDL Number: MFCD00093707
• PubChem SID: 162035924
• PubChem CID: 83060

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1579766
• LogD (pH = 7.4): 5.1579766
• Log P: 5.1579766
• Molar Refractivity: 66.4398 cm^3
• Polarizability: 26.724928 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 78-81°C; 78-82 °C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077; UN3152
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3; II
• Risk Statements: 22-36/37/38-50/53; 52/53
• Safety Statements: 26-36/37-60-61; 61
• TSCA Listed: false; 否
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335-H410; H402-H412
• GHS Precautionary statements: P261-P273-P305 + P351 + P338-P501; P273-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 95+%; 97%; 98%
• Empirical Formula (Hill Notation): C12H8Br2

DETAILS

Sigma Aldrich - 697885

Packaging
1 g in glass bottle