2,5-Dichloro-3-thiophenecarboxylic acid

C5H2Cl2O2SCAS 36157-41-2197.03 g/mol

Open in Covalent MOL file
OHOClSCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C5H2Cl2O2S
Molar mass
197.03 g/mol
Exact mass
195.9153 Da
Melting point
146.5–147.5 °C
logP
2.75Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
36157-41-2
SMILES
O=C(O)c1cc(Cl)sc1Cl
InChIKey
FBUUZRITKBLZJX-UHFFFAOYSA-N
InChI
InChI=1S/C5H2Cl2O2S/c6-3-1-2(5(8)9)4(7)10-3/h1H,(H,8,9)

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

Names and synonyms

3 names
  • 3-Thiophenecarboxylic acid, 2,5-dichloro-
  • 2,5-Dichlorothiophene-3-carboxylic acid
  • NSC 14775

Work with 2,5-Dichloro-3-thiophenecarboxylic acid

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

3-Acetyl-2,5-dichlorothiophene36157-40-158 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-148 % similar 4,5-Dichlorophthalic acid56962-08-448 % similar 5-Chloro-2-thiophenecarboxylic acid24065-33-647 % similar 5-Chlorothiophene-3-carboxylic acid36157-42-347 % similar Pyromellitic acid89-05-446 % similar 2-Chlorobenzoic acid118-91-244 % similar 3-Chloro-2-fluorobenzoic acid161957-55-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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