2-(Benzyloxy)-6-bromonaphthalene

HCID 640595CAS 2234-45-9

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Basic information

Standard SMILES: Brc1ccc2cc(OCc3ccccc3)ccc2c1
InChIKey: QVVBDTXZESAKDU-UHFFFAOYSA-N
Molecular formula: C17H13BrO
Average molar mass: 313.2 g/mol
Monoisotopic mass: 312.01497714

Names & identifiers

Preferred name: 2-(Benzyloxy)-6-bromonaphthalene
IUPAC: 2-bromo-6-phenylmethoxynaphthalene
English name: 2-(Benzyloxy)-6-bromonaphthalene
Molecular formula: C17H13BrO
Molecular weight: 313.19

Names & synonyms

2-(benzyloxy)-6-bromonaphthalene2234-45-92-Benzyloxy-6-bromonaphthalene2-bromo-6-phenylmethoxynaphthaleneMFCD015688562-benzyloxy-6-bromo-naphthalene[(6-bromo-2-naphthyl)oxy](phenyl)methane2-bromo-6-benzyloxynaphthaleneSCHEMBL2636350DTXSID70348769QVVBDTXZESAKSCHEMBL27802206

Show more names

RMA-1676-benzyloxy-2-bromonaphthaleneBENZYL 6-BROMO-2-NAPHTHYL ETHER

SCHEMBL29576561QVVBDTXZESAKDU-UHFFFAOYSA-NAKOS005080887naphthalene, 2-bromo-6-(phenylmethoxy)-SY473600DB-364619CS-0062545D73229

Database identifiers

CAS: 2234-45-9
PubChem CID: 640595
DTXSID: DTXSID70348769
Nikkaji: J1.766.527H

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 274

Physicochemical properties

Melting point: 112 · 112-113 °C
Boiling point: 434.6 · 434.6±20.0 °C(Predicted)
Density: 1.395 · 1.395±0.06 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362