1-(2-Bromoethoxy)-2-ethoxybenzene

C₁₀H₁₃BrO₂CAS 3259-03-8245.12 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₀H₁₃BrO₂
Molar mass: 245.12 g/mol
Exact mass: 244.0099 Da
Boiling point: 142–145 °C (at 11 Torr)
logP: 2.86Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed10.5% of notifiers
H315 Causes skin irritation89.5% of notifiers
H319 Causes serious eye irritation89.5% of notifiers
H335 May cause respiratory irritation84.2% of notifiers

Aggregated from 19 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3259-03-8

SMILES

CCOc1ccccc1OCCBr

InChIKey

IOYHGBZPUZBUTJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H13BrO2/c1-2-12-9-5-3-4-6-10(9)13-8-7-11/h3-6H,2,7-8H2,1H3

Weigh it out

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

Names and synonyms

2 names

Benzene, 1-(2-bromoethoxy)-2-ethoxy-
2-(o-Ethoxyphenoxy)ethyl bromide

Work with 1-(2-Bromoethoxy)-2-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

1,2-Diethoxybenzene2050-46-674 % similar 1-(2-Bromoethoxy)-2-methoxybenzene4463-59-668 % similar Benzodioxan493-09-454 % similar (2-Bromoethoxy)benzene589-10-654 % similar 1-Ethoxy-2-fluorobenzene451-80-953 % similar 1-Chloro-2-ethoxybenzene614-72-253 % similar 2-Ethoxyaniline94-70-253 % similar 2-Ethoxyphenol94-71-353 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook