1,8-bis(bromomethyl)naphthalene

• ChemBase ID: 150319
• Molecular Formular: C12H10Br2
• Molecular Mass: 314.0158
• Monoisotopic Mass: 311.91492432
• SMILES: c1cc2cccc(c2c(c1)CBr)CBr
• Canonical SMILES: BrCc1cccc2c1c(CBr)ccc2
• InChI: InChI=1S/C12H10Br2/c13-7-10-5-1-3-9-4-2-6-11(8-14)12(9)10/h1-6H,7-8H2
• InChIKey: GCZOMCDXYFMAGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8-bis(bromomethyl)naphthalene
• IUPAC Traditional name: 1,8-bis(bromomethyl)naphthalene
• Synonyms: 1,8-Bis(bromomethyl)naphthalene; 1,8-bis(bromomethyl)Naphthalene; 1,8-双(溴甲基)萘

Database IDs

• CAS Number: 2025-95-8
• MDL Number: MFCD00010251
• PubChem SID: 24854836; 162244480
• PubChem CID: 291208

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5081973
• LogD (pH = 7.4): 4.5081973
• Log P: 4.5081973
• Molar Refractivity: 68.209 cm^3
• Polarizability: 26.781958 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 131-133 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-27-28-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

Product Information

• Purity: 97%; 98%
• Linear Formula: C10H6(CH2Br)2

DETAILS

Sigma Aldrich - 246921

Packaging
250 mg in glass bottle