5-Bromo-2-thiophenecarboxaldehyde

C₅H₃BrOSCAS 4701-17-1191.04 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
Boiling point: 115 °C (at 14 Torr)
logP: 2.32Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled10% of notifiers
H302 Harmful if swallowed20% of notifiers
H312 Harmful in contact with skin20% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled20% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 10 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

4701-17-1

SMILES

O=Cc1ccc(Br)s1

InChIKey

GFBVUFQNHLUCPX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

11 names

2-Thiophenecarboxaldehyde, 5-bromo-
5-Bromo-2-formylthiophene
2-Bromo-5-formylthiophene
2-Bromo-5-thiophenecarboxaldehyde
5-Bromothiophene-2-carbaldehyde
5-Bromo-2-thiophenaldehyde
2-Formyl-5-bromothiophene
5-Bromothiophene-2-aldehyde
5-Bromothiophen-2-carboxaldehyde
5-Bromo-2-thienylaldehyde
5-Bromo-2-carbonylthiophene

Work with 5-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

5'-Bromo(2,2'-bithiophene)-5-carbaldehyde110046-60-177 % similar Thiophene-2,5-dicarbaldehyde932-95-664 % similar 5-Methyl-2-thiophenecarboxaldehyde13679-70-450 % similar 2,5-Dibromothiophene3141-27-350 % similar 5-Chloro-2-thiophenecarboxaldehyde7283-96-750 % similar 5-Phenyl-2-thiophenecarbaldehyde19163-21-445 % similar 5-Formylthiophene-2-carbonitrile21512-16-345 % similar 5-Ethyl-2-thiophenecarboxaldehyde36880-33-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-thiophenecarboxaldehyde18791-75-8 3-Bromothiophene-2-carboxaldehyde930-96-1

Elsewhere

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