2-bromo-6-butoxynaphthalene

• ChemBase ID: 297515
• Molecular Formular: C14H15BrO
• Molecular Mass: 279.1723
• Monoisotopic Mass: 278.0306271
• SMILES: CCCCOc1ccc2cc(ccc2c1)Br
• Canonical SMILES: CCCCOc1ccc2c(c1)ccc(c2)Br
• InChI: InChI=1S/C14H15BrO/c1-2-3-8-16-14-7-5-11-9-13(15)6-4-12(11)10-14/h4-7,9-10H,2-3,8H2,1H3
• InChIKey: LIQQRPRDWMYCPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-6-butoxynaphthalene
• IUPAC Traditional name: 2-bromo-6-butoxynaphthalene
• Synonyms: 2-Bromo-6-n-butoxynaphthalene; 2-溴-6-正丁氧基萘

Database IDs

• CAS Number: 66217-20-7
• MDL Number: MFCD01568860
• PubChem SID: 180683046
• PubChem CID: 3798414

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.897703
• LogD (pH = 7.4): 4.897703
• Log P: 4.897703
• Molar Refractivity: 70.4678 cm^3
• Polarizability: 28.518366 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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