1-bromo-2-methylnaphthalene

• ChemBase ID: 150719
• Molecular Formular: C11H9Br
• Molecular Mass: 221.09316
• Monoisotopic Mass: 219.98876229
• SMILES: Cc1ccc2ccccc2c1Br
• Canonical SMILES: Cc1ccc2c(c1Br)cccc2
• InChI: InChI=1S/C11H9Br/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,1H3
• InChIKey: CMIMBQIBIZZZHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-methylnaphthalene
• IUPAC Traditional name: 1-bromo-2-methylnaphthalene
• Synonyms: 1-bromo-2-methylnaphthalene; 1-Bromo-2-methylnaphthalene; 1-溴-2-甲基萘

Database IDs

• CAS Number: 2586-62-1
• EC Number: 219-966-1
• MDL Number: MFCD00003871
• Beilstein Number: 2042531
• PubChem SID: 162244880; 24847598; 24845593
• PubChem CID: 75754

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2448964
• LogD (pH = 7.4): 4.2448964
• Log P: 4.2448964
• Molar Refractivity: 55.1722 cm^3
• Polarizability: 22.241459 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 295-296°C; 296 °C(lit.)
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 1.418 g/mL at 25 °C(lit.); 1.428
• Refractive Index: 1.6490; n20/D 1.648; n20/D 1.648(lit.)
• Hydrophobicity(logP): 4.678

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0% (GC); 90%; 95%; 95+%; tech. 85%
• Grade: purum; technical grade
• Linear Formula: CH3C10H6Br

DETAILS

Sigma Aldrich - 124109

Packaging
25, 100 g in glass bottle