1-Bromo-4-(phenoxymethyl)benzene

HCID 726149

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Basic information

CAS: 20600-22-0
Standard SMILES: Brc1ccc(COc2ccccc2)cc1
InChIKey: KZVLWVAXLYUCLW-UHFFFAOYSA-N
Molecular formula: C13H11BrO
Average molar mass: 263.13 g/mol
Monoisotopic mass: 261.99932707

Names & identifiers

Preferred name: 1-Bromo-4-(phenoxymethyl)benzene
IUPAC: 1-bromo-4-(phenoxymethyl)benzene
English name: 1-BROMO-4-(PHENOXYMETHYL)BENZENE
Molecular formula: C13H11BrO
Molecular weight: 263.13

Names & synonyms

1-bromo-4-(phenoxymethyl)benzene20600-22-0DTXSID40352414RefChem:228590DTXCID70303479MFCD000178474-Bromobenzyl phenyl etherBenzene, 1-bromo-4-(phenoxymethyl)-[(4-bromophenyl)methoxy]benzene(4-Bromobenzyl)phenyl etherSCHEMBL4192321-bromo4-phenoxymethyl-benzene

Show more names

SCHEMBL1283621SCHEMBL7971499SCHEMBL278022101-Bromo-4-phenoxymethyl-benzeneBDBM86791KZVLWVAXLYUCLW-UHFFFAOYSA-NSBB102630AKOS008913283

Database identifiers

CAS: 20600-22-0
PubChem CID: 726149
DTXSID: DTXSID40352414
Nikkaji: J293.120F

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 169

Physicochemical properties

CAS DataBase Reference: 20600 · 20600-22-0
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses1-Benzyloxy-4-Bromobenzene is used in preparation of arylalkenylpropargylamine derivatives as MAO-B inhibitors exhibiting neuroprotective action for treatment of neurodegenerative diseases.