Benzodioxan

C₈H₈O₂CAS 493-09-4136.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₈O₂
Molar mass: 136.15 g/mol
Exact mass: 136.0524 Da
Density: 1.18 g/mL (at 20 °C)
Melting point: 213–217 °C
Boiling point: 103 °C
logP: 1.46Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H412 Harmful to aquatic life with long lasting effects33.3% 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, P273, 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

493-09-4

SMILES

c1ccc2c(c1)OCCO2

InChIKey

BNBQRQQYDMDJAH-UHFFFAOYSA-N

InChI

InChI=1S/C8H8O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2

Weigh it out

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

Names and synonyms

9 names

1,4-Benzodioxin, 2,3-dihydro-
1,4-Benzodioxan
2,3-Dihydro-1,4-benzodioxin
1,2-(Ethylenedioxy)benzene
Ethylene o-phenylene dioxide
Pyrocatechol ethylene ether
Benzene, 1,2-[1,2-ethanediylbis(oxy)]-
NSC 406705
2,3-Dihydrobenzo[b][1,4]dioxin

Work with Benzodioxan

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

Benzo-18-crown-614098-24-982 % similar Benzo-15-crown-514098-44-382 % similar Benzo-12-crown-414174-08-482 % similar Dibenzo-24-crown-814174-09-582 % similar Dibenzo-18-crown-614187-32-782 % similar Dibenzo-30-crown-1017455-25-382 % similar 1,3-Benzodioxole274-09-965 % similar 1,2-Diethoxybenzene2050-46-663 % similar

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

Same formula

Phenylacetic acid103-82-2 Benzyl formate104-57-4 2'-Hydroxyacetophenone104809-67-8 o-Toluic acid118-90-1 2′-Hydroxyacetophenone118-93-4 3-Hydroxyacetophenone121-71-1 Phenyl acetate122-79-2 4-Anisaldehyde123-11-5

Elsewhere

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