Benzyl 4-bromobutyl ether

C₁₁H₁₅BrOCAS 60789-54-0243.14 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₁H₁₅BrO
Molar mass: 243.14 g/mol
Exact mass: 242.0306 Da
logP: 3.38Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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

60789-54-0

SMILES

C1=CC=C(C=C1)COCCCCBr

InChIKey

ZQRVGYAMRJVUAK-UHFFFAOYSA-N

InChI

InChI=1S/C11H15BrO/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2

Weigh it out

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

Names and synonyms

1 names

((4-Bromobutoxy)methyl)benzene

Work with Benzyl 4-bromobutyl 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 3-bromopropyl ether54314-84-088 % similar Benzyl 2-bromoethyl ether1462-37-974 % similar 1-Bromo-4-phenylbutane13633-25-559 % similar 3-Benzyloxy-1-propanol4799-68-258 % similar Benzyl butyl ether588-67-058 % similar 1-Bromo-5-phenylpentane14469-83-157 % similar 1-Bromo-6-phenylhexane27976-27-857 % similar 1-Bromo-8-phenyloctane54646-75-257 % similar

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

Same formula

1-Bromo-4-(pentyloxy)benzene30752-18-2

Elsewhere

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