4-Bromo-2-thiophenecarboxaldehyde

C₅H₃BrOSCAS 18791-75-8191.04 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₅H₃BrOS
Molar mass: 191.04 g/mol
Exact mass: 189.9088 Da
Melting point: 44–45 °C
Boiling point: 114–115 °C (at 11 Torr)
logP: 2.32Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed28.6% of notifiers
H312 Harmful in contact with skin28.6% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled28.6% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 7 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

18791-75-8

SMILES

O=Cc1cc(Br)cs1

InChIKey

PDONIKHDXYHTLS-UHFFFAOYSA-N

InChI

InChI=1S/C5H3BrOS/c6-4-1-5(2-7)8-3-4/h1-3H

Weigh it out

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

Names and synonyms

7 names

2-Thiophenecarboxaldehyde, 4-bromo-
4-Bromo-2-formylthiophene
3-Bromo-5-formylthiophene
3-Bromo-5-thiophenecarboxaldehyde
4-Bromothiophen-2-aldehyde
4-Bromothiophen-2-carboxaldehyde
4-Bromothiophene-2-carbaldehyde

Work with 4-Bromo-2-thiophenecarboxaldehyde

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-Formylthiophene-4-boronic acid175592-59-348 % similar 2,4-Dibromothiophene3140-92-946 % similar 5-Bromoisophthalaldehyde120173-41-344 % similar 3,5-Dibromobenzaldehyde56990-02-444 % similar 4-Bromo-2-methylthiophene29421-92-943 % similar Methyl 5-formylthiophene-3-carboxylate67808-66-643 % similar 4,5-Dibromothiophene-2-carboxaldehyde38071-22-642 % similar 4-Bromo-2-thiophenecarboxylic acid16694-18-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-thiophenecarboxaldehyde4701-17-1 3-Bromothiophene-2-carboxaldehyde930-96-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook