1-bromo-4-fluoronaphthalene

• ChemBase ID: 6909
• Molecular Formular: C10H6BrF
• Molecular Mass: 225.0570432
• Monoisotopic Mass: 223.96369041
• SMILES: c1(Br)ccc(F)c2ccccc12
• Canonical SMILES: Brc1ccc(c2c1cccc2)F
• InChI: InChI=1S/C10H6BrF/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
• InChIKey: VAUJZKBFENPOCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-fluoronaphthalene
• IUPAC Traditional name: 1-bromo-4-fluoronaphthalene
• Synonyms: 1-Bromo-4-fluoronaphthalene; 1-Bromo-4-fluoronaphthalene; 1-Bromo-4-fluoronaphthalene 98%; 1-溴-4-氟萘

Database IDs

• CAS Number: 341-41-3
• EC Number: 206-434-9
• MDL Number: MFCD00051473
• Beilstein Number: 2085804
• PubChem SID: 24878200; 160970216
• PubChem CID: 67647

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.8741772
• LogD (pH = 7.4): 3.8741772
• Log P: 3.8741772
• Molar Refractivity: 50.3474 cm^3
• Polarizability: 20.203907 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 33-37°C; 33-37°C; 35-38 °C(lit.)
• Flash Point: >110°C; >110°C(230°F); 110 °C; 230 °F

Safety Information

• Storage Warning: IRRITANT; Irritant
• 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%
• Linear Formula: FC10H6Br

DETAILS

Sigma Aldrich - 537195

Packaging
1, 5 g in glass bottle