2-Bromobenzene-1,3-dialdehyde

C₈H₅BrO₂CAS 79839-49-9213.03 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₈H₅BrO₂
Molar mass: 213.03 g/mol
Exact mass: 211.9473 Da
logP: 2.07Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

79839-49-9

SMILES

C1=CC(=C(C(=C1)C=O)Br)C=O

InChIKey

RZUSSKMZLHKMHU-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrO2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-5H

Weigh it out

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Names and synonyms

1 names

2-Bromobenzene-1,3-dicarbaldehyde

Work with 2-Bromobenzene-1,3-dialdehyde

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-3-fluorobenzaldehyde891180-59-969 % similar 2-Bromobenzaldehyde6630-33-758 % similar Phthalaldehyde643-79-857 % similar 1-Bromo-2-naphthalenecarboxaldehyde3378-82-355 % similar 3-Bromo-2-hydroxybenzaldehyde1829-34-154 % similar 3-Bromo-2-methylbenzaldehyde83647-40-954 % similar (1,1'-Biphenyl)-2,2'-dicarboxaldehyde1210-05-550 % similar 2-Chlorobenzaldehyde89-98-550 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromoisophthalaldehyde120173-41-3 6-Bromo-3 H-isobenzofuran-1-one19477-73-7 6-Bromo-1-benzofuran-3(2H)-one201809-69-0 5-Bromophthalide64169-34-2 3-Bromophthalide6940-49-4

Elsewhere

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