4,5-Dibromothiophene-2-carboxaldehyde

C₅H₂Br₂OSCAS 38071-22-6269.94 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅H₂Br₂OS
Molar mass: 269.94 g/mol
Exact mass: 267.8193 Da
logP: 3.09Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

38071-22-6

SMILES

C1=C(SC(=C1Br)Br)C=O

InChIKey

CHRAVDVWAPGZOY-UHFFFAOYSA-N

InChI

InChI=1S/C5H2Br2OS/c6-4-1-3(2-8)9-5(4)7/h1-2H

Weigh it out

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Names and synonyms

1 names

4,5-Dibromothiophene-2-carbaldehyde

Work with 4,5-Dibromothiophene-2-carboxaldehyde

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

2,3,5-Tribromothiophene3141-24-046 % similar 2,5-Dibromo-1,4-benzenedicarboxaldehyde63525-48-443 % similar 4-Bromo-2-thiophenecarboxaldehyde18791-75-842 % similar 5-Bromo-2-thiophenecarboxaldehyde4701-17-142 % similar Thiophene-2,5-dicarbaldehyde932-95-641 % similar 4,5-Dibromo-2-thiophenecarboxylic acid6324-10-340 % similar 4,5-Dibromothiophene-2-sulfonyl chloride81606-31-740 % similar 2-Bromo-5-fomylthiazole464192-28-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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