1,3-Dichlorobenzene

C₆H₄Cl₂CAS 541-73-1147.00 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄Cl₂
Molar mass: 147.00 g/mol
Exact mass: 145.9690 Da
Density: 1.2884 g/mL (at 20 °C)
Melting point: −24.8 °C
Boiling point: 173 °C
logP: 2.99Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

541-73-1

SMILES

Clc1cccc(Cl)c1

InChIKey

ZPQOPVIELGIULI-UHFFFAOYSA-N

InChI

InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H

Weigh it out

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

Names and synonyms

8 names

Benzene, 1,3-dichloro-
Benzene, m-dichloro-
m-Dichlorobenzene
m-Phenylene dichloride
m-Dichlorobenzol
2,6-Dichlorobenzene
NSC 8754
2,4-Dichlorobenzene

Work with 1,3-Dichlorobenzene

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

Similar compounds

1,3,5-Trichlorobenzene108-70-362 % similar 1-Chloro-3-fluorobenzene625-98-961 % similar Chlorobenzene108-90-760 % similar 1-Bromo-3-chlorobenzene108-37-258 % similar 3-Chlorotoluene108-41-858 % similar 3-Chloroaniline108-42-958 % similar 3-Chlorophenol108-43-058 % similar 3-Chlorothiophenol2037-31-258 % similar

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

Same formula

1,4-Dichlorobenzene106-46-7 1,2-Dichlorobenzene-D42199-69-1 1,4-Dichlorobenzene-D43855-82-1 1,2-Dichlorobenzene95-50-1

Elsewhere

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