1,2-Dibromo-4,5-dimethoxybenzene

C8H8Br2O2CAS 37895-73-1295.96 g/mol

Open in Covalent MOL file
OBrBrO
Aryl halideEther

Properties

Molecular formula
C8H8Br2O2
Molar mass
295.96 g/mol
Exact mass
293.8891 Da
Melting point
92 °C
logP
3.23Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
37895-73-1
SMILES
COc1cc(Br)c(Br)cc1OC
InChIKey
ZYCLQXMMFJREPJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H8Br2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3

Weigh it out

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Names and synonyms

3 names
  • Benzene, 1,2-dibromo-4,5-dimethoxy-
  • 4,5-Dibromoveratrole
  • 4,5-Dibromo-1,2-dimethoxybenzene

Work with 1,2-Dibromo-4,5-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromo-4,5-dimethoxybenzyl bromide53207-00-462 % similar 6-Bromoveratraldehyde5392-10-959 % similar 2-Bromoanisole578-57-457 % similar 2,3,6,7,10,11-Hexamethoxytriphenylene808-57-155 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-454 % similar 1-Bromo-4,5-difluoro-2-methoxybenzene202865-58-554 % similar 2,4-Dibromoanisole21702-84-154 % similar 1-Bromo-2,5-dimethoxybenzene25245-34-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,4-Dibromo-2,5-dimethoxybenzene2674-34-2 2,3-Dibromo-1,4-dimethoxybenzene5030-61-5

Elsewhere

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