1,2-bis(dibromomethyl)benzene

• ChemBase ID: 151513
• Molecular Formular: C8H6Br4
• Molecular Mass: 421.74924
• Monoisotopic Mass: 417.72029819
• SMILES: c1ccc(c(c1)C(Br)Br)C(Br)Br
• Canonical SMILES: BrC(c1ccccc1C(Br)Br)Br
• InChI: InChI=1S/C8H6Br4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H
• InChIKey: LNAOKZKISWEZNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-bis(dibromomethyl)benzene
• IUPAC Traditional name: 1,2-bis(dibromomethyl)benzene
• Synonyms: 1,2-Bis(dibromomethyl)benzene; α,α,α′,α′-Tetrabromo-o-xylene; alpha,alpha,alpha',alpha'-Tetrabromo-o-xylene; 1,2-双(二溴甲基)苯; α,α,α′,α′-四溴邻二甲苯; α,α,α',α'-四溴邻二甲苯

Database IDs

• CAS Number: 13209-15-9
• EC Number: 236-176-2
• MDL Number: MFCD00000131
• Beilstein Number: 2211698
• PubChem SID: 162245666; 24900300
• PubChem CID: 83234

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.65392
• LogD (pH = 7.4): 3.65392
• Log P: 3.65392
• Molar Refractivity: 67.1664 cm^3
• Polarizability: 25.793285 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 114-116 °C(lit.); 114-118°C

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261; UN1759
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34-36/37; 34-37-43
• Safety Statements: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H318-H317-H335; H314-H335-H400
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P261-P273-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 3261 8/PG 2

Product Information

• Purity: 97%
• Linear Formula: C6H4(CHBr2)2

DETAILS

Sigma Aldrich - T5605

Packaging
100 g in glass bottle