1,4-dibromo-2,5-dimethoxybenzene

• ChemBase ID: 64489
• Molecular Formular: C8H8Br2O2
• Molecular Mass: 295.95592
• Monoisotopic Mass: 293.8891035
• SMILES: c1c(c(cc(c1OC)Br)OC)Br
• Canonical SMILES: COc1cc(Br)c(cc1Br)OC
• InChI: InChI=1S/C8H8Br2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
• InChIKey: CHCLRVOURKGRSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromo-2,5-dimethoxybenzene
• IUPAC Traditional name: 1,4-dibromo-2,5-dimethoxybenzene
• Synonyms: 1,4-Dibromo-2,5-dimethoxybenzene 98+%; 1,4-Dibromo-2,5-dimethoxybenzene; 1,4-Dibromo-2,5-dimethoxybenzene; 1,4-二溴-2,5-二甲氧基苯

Database IDs

• CAS Number: 2674-34-2
• MDL Number: MFCD00025694
• Beilstein Number: 1953103
• PubChem SID: 162030228; 24869809
• PubChem CID: 231240

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1954086
• LogD (pH = 7.4): 3.1954086
• Log P: 3.1954086
• Molar Refractivity: 54.23 cm^3
• Polarizability: 21.308268 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144-146°C; 144-148°C; 144-149 °C(lit.)

Safety Information

• Storage Warning: IRRITANT; Irritant/Light Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%; 98%; 98+%
• Linear Formula: Br2C6H2(OCH3)2

DETAILS

Sigma Aldrich - 461105

Packaging
5, 25 g in glass bottle