1,4-dibromonaphthalene

• ChemBase ID: 10686
• Molecular Formular: C10H6Br2
• Molecular Mass: 285.96264
• Monoisotopic Mass: 283.88362419
• SMILES: c1ccc2c(c1)c(ccc2Br)Br
• Canonical SMILES: Brc1ccc(c2c1cccc2)Br
• InChI: InChI=1S/C10H6Br2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
• InChIKey: IBGUDZMIAZLJNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromonaphthalene
• IUPAC Traditional name: naphthalene, 1,4-dibromo-
• Synonyms: 1,4-Dibromonaphthalene; 1,4-Dibromonaphthalene; 1,4-二溴萘

Database IDs

• CAS Number: 83-53-4
• EC Number: 201-484-8
• MDL Number: MFCD00041823
• PubChem SID: 160973993
• PubChem CID: 66521

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: 23.34518 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 80-82°C; 80-82°C; 80-82°C°C; 83°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05213982

MP Biomedicals Rare Chemical collection