2,7-dibromonaphthalene

• ChemBase ID: 12442
• Molecular Formular: C10H6Br2
• Molecular Mass: 285.96264
• Monoisotopic Mass: 283.88362419
• SMILES: c1c(ccc2ccc(cc12)Br)Br
• Canonical SMILES: Brc1ccc2c(c1)cc(cc2)Br
• InChI: InChI=1S/C10H6Br2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6H
• InChIKey: ODJZWBLNJKNOJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-dibromonaphthalene
• IUPAC Traditional name: 2,7-dibromonaphthalene
• Synonyms: 2,7-Dibromonaphthalene; 2,7-Dibromonaphthalene; 2,7-二溴萘

Database IDs

• CAS Number: 58556-75-5
• MDL Number: MFCD00238580
• Beilstein Number: 1862041
• PubChem SID: 160975749
• PubChem CID: 625355

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.500228
• LogD (pH = 7.4): 4.500228
• Log P: 4.500228
• Molar Refractivity: 57.7538 cm^3
• Polarizability: 23.338371 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139-142 °C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36-51/53
• Safety Statements: 26-61
• TSCA Listed: false
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H319-H411
• GHS Precautionary statements: P273-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (HPLC); 97%; 98%
• Empirical Formula (Hill Notation): C10H6Br2

DETAILS

Sigma Aldrich - 690171

Packaging
1, 5 g in glass bottle