1-Bromo-4-nonylbenzene

C₁₅H₂₃BrCAS 51554-94-0283.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₂₃Br
Molar mass: 283.25 g/mol
Exact mass: 282.0983 Da
Boiling point: 107 °C (at 0.2 Torr)
logP: 5.74Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 8

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

51554-94-0

SMILES

CCCCCCCCCc1ccc(Br)cc1

InChIKey

LVCWOFRWEVUMNY-UHFFFAOYSA-N

InChI

InChI=1S/C15H23Br/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13H,2-9H2,1H3

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Names and synonyms

3 names

Benzene, 1-bromo-4-nonyl-
4-Bromophenylnonane
4-n-Nonylbromobenzene

Work with 1-Bromo-4-nonylbenzene

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-dodecylbenzene126930-72-1100 % similar 1-(4-Bromophenyl)hexane23703-22-2100 % similar 1-(4-Bromophenyl)octane51554-93-9100 % similar 1-Bromo-4-N-heptylbenzene76287-49-5100 % similar 1-Bromo-4-pentylbenzene51554-95-196 % similar 4-Bromo-4'-N-heptylbiphenyl58573-93-688 % similar 4-Bromo-4'-pentylbiphenyl63619-59-085 % similar 1-Bromo-4-butylbenzene41492-05-183 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-2,4,6-triisopropylbenzene21524-34-5 3,5-Di-tert-butylbenzyl bromide62938-08-3

Elsewhere

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