7-Bromobenzo[1,3]dioxole-5-carbaldehyde

C₈H₅BrO₃CAS 19522-96-4229.03 g/mol

Open in Covalent MOL file

Acetal Aldehyde Aryl halide Ether

Properties

Molecular formula: C₈H₅BrO₃
Molar mass: 229.03 g/mol
Exact mass: 227.9422 Da
logP: 1.99Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers
H412 Harmful to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

19522-96-4

SMILES

C1OC2=C(O1)C(=CC(=C2)C=O)Br

InChIKey

LFWAGNRBILVLBC-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrO3/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-3H,4H2

Weigh it out

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

Names and synonyms

1 names

7-Bromo-1,3-dioxaindane-5-carbaldehyde

Work with 7-Bromobenzo[1,3]dioxole-5-carbaldehyde

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

Myristicinaldehyde5780-07-461 % similar 3-Bromo-4,5-dimethoxybenzaldehyde6948-30-757 % similar Piperonal120-57-051 % similar 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde3111-37-350 % similar 5-Bromovanillin2973-76-446 % similar 3,5-Dibromo-4-hydroxybenzaldehyde2973-77-546 % similar 2,3-Dihydro-1,4-benzodioxin-6-carbaldehyde29668-44-843 % similar 3,4-Dibromobenzaldehyde74003-55-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-1,3-benzodioxole-5-carboxaldehyde15930-53-7 3-Bromo-4-formylbenzoic acid91760-66-6

Elsewhere

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