4-Butoxybromobenzene

C₁₀H₁₃BrOCAS 39969-57-8229.12 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₁₀H₁₃BrO
Molar mass: 229.12 g/mol
Exact mass: 228.0150 Da
logP: 3.63Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 4

Hazards

Warning

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

Aggregated from the 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

39969-57-8

SMILES

CCCCOC1=CC=C(C=C1)Br

InChIKey

BOUVKHWPQNEXTO-UHFFFAOYSA-N

InChI

InChI=1S/C10H13BrO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7H,2-3,8H2,1H3

Weigh it out

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

Names and synonyms

1 names

1-Bromo-4-butoxybenzene

Work with 4-Butoxybromobenzene

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

1-Bromo-4-(pentyloxy)benzene30752-18-289 % similar 1-Bromo-4-(hexyloxy)benzene30752-19-386 % similar p-Bromophenyl octyl ether96693-05-986 % similar 1-Bromo-4-propoxybenzene39969-56-778 % similar 4-Butoxyphenol122-94-167 % similar 4-Bromophenetole588-96-564 % similar Butyl phenyl ether1126-79-062 % similar 4-Butyloxyaniline4344-55-261 % 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 Benzyl 3-bromopropyl ether54314-84-0

Elsewhere

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