1-bromo-4-(4-bromophenyl)benzene

• ChemBase ID: 53552
• Molecular Formular: C12H8Br2
• Molecular Mass: 311.99992
• Monoisotopic Mass: 309.89927426
• SMILES: c1(c2ccc(cc2)Br)ccc(cc1)Br
• Canonical SMILES: Brc1ccc(cc1)c1ccc(cc1)Br
• InChI: InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
• InChIKey: HQJQYILBCQPYBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-(4-bromophenyl)benzene
• IUPAC Traditional name: 4,4'-dibromobiphenyl
• Synonyms: 4,4'-Dibromobiphenyl; 4,4′-Dibromobiphenyl; 4,4'-Dibromobiphenyl; 4,4′-二溴联苯; 4,4'-二溴联苯

Database IDs

• CAS Number: 92-86-4
• EC Number: 202-198-6
• MDL Number: MFCD00000101
• Beilstein Number: 2044701
• PubChem SID: 24853738; 24860793; 162058315; 24867829
• PubChem CID: 7110

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: 26.71628 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 163-165 °C(lit.); 164-169°C; 165-169 °C; 166-169°C
• Boiling Point: 355-360 °C(lit.); 355-360°C; 355-360°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Toxic (T); Irritant (Xi); Harmful (Xn)
• UN Number: 3152; UN3152
• German water hazard class: 1
• Hazard Class: 9
• Packing Group: 2; II
• Risk Statements: 22-37/38-40-41-50/53; 36/37/38-52/53; R:45
• Safety Statements: 26-36/37/39-60-61; 26-37-61; S:28-36/37/39-45-53
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335-H351-H410; H315-H319-H335-H303-H402-H412
• GHS Precautionary statements: P261-P273-P280-P305 + P351 + P338-P501; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• RID/ADR: UN 3152 9/PG 2

Product Information

• Purity: ≥97.0% (HPLC); 98%; 98+%
• Grade: analytical standard; purum
• Packaging: ampule of 250 mg
• Linear Formula: BrC6H4C6H4Br

DETAILS

MP Biomedicals - 05206984

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 229237

Packaging
25, 100 g in poly bottle