1,4-dibromo-2,5-dimethylbenzene

• ChemBase ID: 109672
• Molecular Formular: C8H8Br2
• Molecular Mass: 263.95712
• Monoisotopic Mass: 261.89927426
• SMILES: Cc1cc(Br)c(C)cc1Br
• Canonical SMILES: Cc1cc(Br)c(cc1Br)C
• InChI: InChI=1S/C8H8Br2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
• InChIKey: QENIALCDPFDFHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-2,5-dimethylbenzene
• IUPAC Traditional name: 1,4-dibromo-2,5-dimethylbenzene
• Synonyms: OMEGA, OMEGA'-DIBROMO-P-XYLENE; 1,4-Dibromo-2,5-dimethylbenzene; 1,4-Dibromo-2,5-dimethylbenzene; 2,5-Dibromo-p-xylene; 2,5-Dibromo-p-xylene; 1,4-Dibromo-2,5-dimethylbenzene; 2,5-二溴-对-二甲苯; 2,5-二溴-对二甲苯; 1,4-二溴-2,5-二甲基苯

Database IDs

• CAS Number: 1074-24-4
• EC Number: 214-038-2
• MDL Number: MFCD00000091
• Beilstein Number: 2080433
• PubChem SID: 162088932; 24847267
• PubChem CID: 66175

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.537594
• LogD (pH = 7.4): 4.537594
• Log P: 4.537594
• Molar Refractivity: 51.386 cm^3
• Polarizability: 19.603764 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 72-74 °C(lit.); 72-74°C
• Boiling Point: 261 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38; 36/37/38-51/53
• Safety Statements: 26-37; 26-61
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H411
• GHS Precautionary statements: P261-P273-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 98%; 98+%
• Linear Formula: (CH3)2C6H2Br2

DETAILS

MP Biomedicals - 05212132

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 116157

Packaging
25, 100 g in glass bottle