2,7-bis(bromomethyl)naphthalene

• ChemBase ID: 140722
• Molecular Formular: C12H10Br2
• Molecular Mass: 314.0158
• Monoisotopic Mass: 311.91492432
• SMILES: c1cc(cc2c1ccc(c2)CBr)CBr
• Canonical SMILES: BrCc1ccc2c(c1)cc(cc2)CBr
• InChI: InChI=1S/C12H10Br2/c13-7-9-1-3-11-4-2-10(8-14)6-12(11)5-9/h1-6H,7-8H2
• InChIKey: FJSRQBBGMVBGHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,7-bis(bromomethyl)naphthalene
• IUPAC Traditional name: 2,7-bis(bromomethyl)naphthalene
• Synonyms: 2,7-Bis(bromomethyl)naphthalene; 2,7-bis(bromomethyl)Naphthalene; 2,7-双(溴甲基)萘

Database IDs

• CAS Number: 38309-89-6
• MDL Number: MFCD08277010
• PubChem SID: 24878167; 162234962
• PubChem CID: 11023424

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: 26.780737 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146-150 °C

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/37/38-50/53
• Safety Statements: 26-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H410
• GHS Precautionary statements: P261-P273-P305 + P351 + P338-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: ≥97.0% (HPLC); 97%
• Empirical Formula (Hill Notation): C12H10Br2

DETAILS

Sigma Aldrich - 53658

Application
Precursor for catalyst O,O′-Diallyl-N,N′-(2,7-naphthalindiyldimethyl)-bis-(hydrocinchonidinium) dibromide1.
Packaging
1 g in poly tube