1,3-bis(dibromomethyl)benzene

• ChemBase ID: 111442
• Molecular Formular: C8H6Br4
• Molecular Mass: 421.74924
• Monoisotopic Mass: 417.72029819
• SMILES: BrC(Br)c1cc(ccc1)C(Br)Br
• Canonical SMILES: BrC(c1cccc(c1)C(Br)Br)Br
• InChI: InChI=1S/C8H6Br4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,7-8H
• InChIKey: ZMCUKNMLHBAGMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-bis(dibromomethyl)benzene
• IUPAC Traditional name: 1,3-bis(dibromomethyl)benzene
• Synonyms: α,α',β,β'-TETRABROMO-m-XYLENE; α,α,α′,α′-Tetrabromo-m-xylene; α,α,α′,α′-四溴间二甲苯

Database IDs

• CAS Number: 36323-28-1
• EC Number: 252-975-9
• MDL Number: MFCD00000132
• PubChem SID: 162097158; 24851666
• PubChem CID: 37418

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: 25.793264 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105-108 °C(lit.)

Safety Information

• RTECS: ZE5150000
• European Hazard Symbols: Corrosive (C)
• UN Number: 3448
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 34-36/37
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H335
• GHS Precautionary statements: P261-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 3448 6.1/PG 2

Product Information

• Linear Formula: C6H4(CHBr2)2

DETAILS

MP Biomedicals - 05219189

MP Biomedicals Rare Chemical collection