Benzyl 3-bromopropyl ether

C₁₀H₁₃BrOCAS 54314-84-0229.12 g/mol

Open in Covalent MOL file

Alkyl halide Ether

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 5

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Type any one amount. The others follow from the molar mass.

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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