2,5-Dichlorothiophene

C₄H₂Cl₂SCAS 3172-52-9153.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₂Cl₂S
Molar mass: 153.02 g/mol
Exact mass: 151.9254 Da
Density: 1.4473 g/mL (at 20 °C)
Melting point: −40.5 °C
Boiling point: 162 °C
logP: 3.05Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H300 Fatal if swallowed13.3% of notifiers
H341 Suspected of causing genetic defects11.1% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P318, P321, P330, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

3172-52-9

SMILES

Clc1ccc(Cl)s1

InChIKey

FGYBDASKYMSNCX-UHFFFAOYSA-N

InChI

InChI=1S/C4H2Cl2S/c5-3-1-2-4(6)7-3/h1-2H

Weigh it out

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

Names and synonyms

3 names

Thiophene, 2,5-dichloro-
5-Chloro-2-thienyl chloride
NSC 60527

Work with 2,5-Dichlorothiophene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2,5-Dichlorothiophene173777-89-4

Similar compounds

2-Chloro-5-methylthiophene17249-82-058 % similar 2-Bromo-5-chlorothiophene2873-18-958 % similar 2-Chloro-5-(chloromethyl)thiophene23784-96-552 % similar 5-Chlorothiophene-2-boronic acid162607-18-350 % similar 5-Chloro-2-thiophenecarbonitrile50478-16-550 % similar 5-Chloro-2-thiophenecarboxaldehyde7283-96-750 % similar (5-Chlorothiophen-2-yl)methanol74168-69-750 % similar 5-Chloro-2-thiophenesulfonyl chloride2766-74-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dichlorothiophene17249-79-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook