1-Bromo-2,5-dimethoxybenzene

C8H9BrO2CAS 25245-34-5217.06 g/mol

Open in Covalent MOL file
OOBr
Aryl halideEther

Properties

Molecular formula
C8H9BrO2
Molar mass
217.06 g/mol
Exact mass
215.9786 Da
Boiling point
252–258 °C
logP
2.47Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 75 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
25245-34-5
SMILES
COc1ccc(OC)c(Br)c1
InChIKey
DWCGNRKFLRLWCJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BrO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 2-bromo-1,4-dimethoxy-
  • 2-Bromo-1,4-dimethoxybenzene
  • 2,5-Dimethoxyphenyl bromide
  • 2,5-Dimethoxybromobenzene
  • 2-Bromo-4-methoxyanisole
  • NSC 159052

Work with 1-Bromo-2,5-dimethoxybenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Dibromoanisole21702-84-164 % similar 2-Bromo-4-methylanisole22002-45-562 % similar 1,2,4-Trimethoxybenzene135-77-362 % similar 3-Bromo-4-fluoroanisole1161497-23-960 % similar 2-Bromo-4-methoxyphenol17332-11-560 % similar 3-Bromo-4-methoxyaniline19056-41-860 % similar 1,4-Dibromo-2,5-dimethoxybenzene2674-34-260 % similar 3-Bromo-4-chloroanisole2732-80-160 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-1,3-dimethoxybenzene16932-45-9 4-Bromo-2-methoxybenzyl alcohol 9717102-63-5 1-Bromo-2,4-dimethoxybenzene17715-69-4 1-Bromo-3,5-dimethoxybenzene20469-65-2 Bromoveratrole2859-78-1 2-(4-Bromophenoxy)ethanol34743-88-9 1-Bromo-2,3-dimethoxybenzene5424-43-1 5-Bromo-2-methoxybenzenemethanol80866-82-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook