1-Bromo-3-ethoxybenzene

C₈H₉BrOCAS 2655-84-7201.06 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₈H₉BrO
Molar mass: 201.06 g/mol
Exact mass: 199.9837 Da
logP: 2.85Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

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

Aggregated from 40 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

2655-84-7

SMILES

CCOc1cccc(Br)c1

InChIKey

LQBMPJSTUHWGDE-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BrO/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

6 names

Benzene, 1-bromo-3-ethoxy-
Phenetole, m-bromo-
3-Ethoxybromobenzene
3-Bromophenetole
3-Ethoxy-1-bromobenzene
3-Bromobenzene ethyl ether

Work with 1-Bromo-3-ethoxybenzene

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

1,3-Diethoxybenzene2049-73-269 % similar 4-Bromophenetole588-96-559 % similar 1-Ethoxy-3-fluorobenzene458-03-758 % similar 3-Ethoxy thiophenol86704-82-758 % similar 1-(Benzyloxy)-3-bromobenzene53087-13-158 % similar 3-Bromoanisole2398-37-057 % similar 3-Ethoxybenzenamine621-33-056 % similar 3-Ethoxyphenol621-34-156 % similar

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

Same formula

(1S)-1-(4-Bromophenyl)ethan-1-ol100760-04-1 2-Bromobenzeneethanol1074-16-4 1-(2-Bromophenyl)ethan-1-ol114446-55-8 (1S)-1-(3-Bromophenyl)ethan-1-ol134615-22-8 (+)-1-(3-Bromophenyl)ethanol134615-24-0 4-Bromo-2-methylanisole14804-31-0 (4-Bromo-3-methylphenyl)methanol149104-89-2 (4-Bromo-2-methylphenyl)methanol17100-58-2

Elsewhere

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