6-Bromo-1,4-benzodioxane

C₈H₇BrO₂CAS 52287-51-1215.05 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₈H₇BrO₂
Molar mass: 215.05 g/mol
Exact mass: 213.9629 Da
Boiling point: 153–154 °C (at 23 Torr)
logP: 2.22Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

52287-51-1

SMILES

Brc1ccc2c(c1)OCCO2

InChIKey

LFCURAJBHDNUNG-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2

Weigh it out

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

Names and synonyms

6 names

1,4-Benzodioxin, 6-bromo-2,3-dihydro-
6-Bromo-2,3-dihydro-1,4-benzodioxin
6-Bromo-1,4-benzodioxan
3,4-Ethylenedioxybromobenzene
4-Bromo-1,2-ethylenedioxybenzene
6-Bromo-2,3-dihydrobenzo[b][1,4]dioxine

Work with 6-Bromo-1,4-benzodioxane

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

5-Bromo-1,3-benzodioxole2635-13-478 % similar 5-Bromo-2,3-dihydro-1-benzofuran66826-78-659 % similar 4-Bromo-1-methoxy-2-(3-methoxypropoxy)benzene173336-76-055 % similar 6-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine105655-01-453 % similar 7-Bromo-3,4-dihydro-2H-1,4-benzoxazine105679-22-953 % similar 1,4-Benzodioxan-6-amine22013-33-852 % similar Bromoveratrole2859-78-152 % similar 3,4-Ethylenedioxyiodobenzene57744-67-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-1 2-Bromophenylacetic acid18698-97-0 3-Bromophenylacetic acid1878-67-7 4-Bromophenylacetic acid1878-68-8 2-Bromo-2'-hydroxyacetophenone2491-36-3 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-4 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-5

Elsewhere

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