chempirical

Benzyl 3-bromopropyl ether

C10H13BrOCAS 54314-84-0229.12 g/mol

Open in Covalent MOL file
BrO
Alkyl halideEther

Properties

Molecular formula
C10H13BrO
Molar mass
229.12 g/mol
Exact mass
228.0150 Da
Boiling point
130–132 °C (at 8 Torr)
logP
2.99Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
54314-84-0
SMILES
BrCCCOCc1ccccc1
InChIKey
PSUXTZLDBVEZTD-UHFFFAOYSA-N
InChI
InChI=1S/C10H13BrO/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2

Weigh it out

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Names and synonyms

12 names
  • 3-(Benzyloxy)-1-bromopropane
  • Benzene, [(3-bromopropoxy)methyl]-
  • Ether, benzyl 3-bromopropyl
  • [(3-Bromopropoxy)methyl]benzene
  • 3-Benzyloxypropyl bromide
  • 3-Bromopropyl benzyl ether
  • 1-Benzyloxy-3-bromopropane
  • 3-Bromo-1-benzyloxypropane
  • 3-Bromopropanol benzylic ether
  • 3-Bromopropyl phenylmethyl ether
  • [(3-Bromopropyloxy)methyl]benzene
  • 1-Bromo-3-(benzyloxy)propane

Work with Benzyl 3-bromopropyl ether

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzyl 4-bromobutyl ether60789-54-088 % similar Benzyl 2-bromoethyl ether1462-37-977 % similar Dibenzyl ether103-50-463 % similar 3-Benzyloxy-1-propanol4799-68-260 % similar Benzyl butyl ether588-67-060 % similar 1-Bromo-3-phenylpropane637-59-258 % similar 1-Bromo-4-phenylbutane13633-25-556 % similar 1-Bromo-5-phenylpentane14469-83-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Bromo-2-tert-butylphenol10323-39-4 (4-Bromobutoxy)benzene1200-03-9 2-Bromo-4-tert-butylphenol2198-66-5 4-Butoxybromobenzene39969-57-8

Elsewhere

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