chempirical

2-Bromo-5-chlorothiophene

C4H2BrClSCAS 2873-18-9197.47 g/mol

Open in Covalent MOL file
ClBrS
Aryl halide

Properties

Molecular formula
C4H2BrClS
Molar mass
197.47 g/mol
Exact mass
195.8749 Da
Density
1.803 g/mL (at 25 °C)
Melting point
−20 °C
Boiling point
69.5–70 °C (at 18 Torr)
logP
3.16Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
2873-18-9
SMILES
Clc1ccc(Br)s1
InChIKey
ZFAJPWYXLYGUJU-UHFFFAOYSA-N
InChI
InChI=1S/C4H2BrClS/c5-3-1-2-4(6)7-3/h1-2H

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

Names and synonyms

3 names
  • Thiophene, 2-bromo-5-chloro-
  • 5-Bromo-2-chlorothiophene
  • 2-Chloro-5-bromothiophene

Work with 2-Bromo-5-chlorothiophene

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

2,5-Dibromothiophene3141-27-358 % similar 2,5-Dichlorothiophene3172-52-958 % similar 2-Bromo-5-methylthiophene765-58-244 % similar 2-Chloro-5-(chloromethyl)thiophene23784-96-541 % similar 5-Bromo-2-thiophenesulfonyl chloride55854-46-140 % similar 2-Bromo-5-phenylthiophene29488-24-239 % similar 5-Bromo-2-thiophenecarboxaldehyde4701-17-139 % similar 5-Chloro-2-thiophenecarboxaldehyde7283-96-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook