1,2-dibromobenzene

• ChemBase ID: 8715
• Molecular Formular: C6H4Br2
• Molecular Mass: 235.90396
• Monoisotopic Mass: 233.86797413
• SMILES: c1ccc(c(c1)Br)Br
• Canonical SMILES: Brc1ccccc1Br
• InChI: InChI=1S/C6H4Br2/c7-5-3-1-2-4-6(5)8/h1-4H
• InChIKey: WQONPSCCEXUXTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromobenzene
• IUPAC Traditional name: 1,2-dibromobenzene
• Synonyms: 1,2-Dibromobenzene; 1,2-Dibromobenzene; o-Dibromobenzene; o-DIBROMOBENZENE; 1,2-Dibromobenzene 98%; 1,2-二溴苯; 1,2-二溴代苯

Database IDs

• CAS Number: 583-53-9
• EC Number: 209-507-3
• MDL Number: MFCD00000057
• Beilstein Number: 970241
• PubChem SID: 160972022; 24893794; 24860668
• PubChem CID: 11414

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.510751
• LogD (pH = 7.4): 3.510751
• Log P: 3.510751
• Molar Refractivity: 41.3036 cm^3
• Polarizability: 16.17848 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: brown-yellow
• Melting Point: 4-6 °C(lit.); 4-6°C; 4-6°C
• Boiling Point: 224 °C(lit.); 224°C; 224-226°C
• Flash Point: 197.6 °F; 91°C; 91°C(195°F); 92 °C
• Density: 1.956; 1.956 g/mL at 25 °C(lit.); 1.985
• Refractive Index: 1.611; 1.6110; n20/D 1.611; n20/D 1.611(lit.)
• Vapor Density: 8.2 (vs air)

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: UN3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 36/37/38; 36/38-51/53
• Safety Statements: 26-36; 26-37-61
• TSCA Listed: true; 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H227-H401-H411; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P273-P305+P351+P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 98%
• Grade: purum
• Empirical Formula (Hill Notation): C6H4Br2

DETAILS

MP Biomedicals - 05207731

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D39002

Packaging
5, 25, 100 g in glass bottle