2,3-Dichlorobiphenyl

C₁₂H₈Cl₂CAS 16605-91-7223.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₈Cl₂
Molar mass: 223.10 g/mol
Exact mass: 222.0003 Da
logP: 4.66Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P273, P319, P391, P501

Identifiers

CAS number

16605-91-7

SMILES

C1=CC=C(C=C1)C2=C(C(=CC=C2)Cl)Cl

InChIKey

XOMKZKJEJBZBJJ-UHFFFAOYSA-N

InChI

InChI=1S/C12H8Cl2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8H

Weigh it out

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

Work with 2,3-Dichlorobiphenyl

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-Chlorobiphenyl2051-60-770 % similar 1,2,3-Trichlorobenzene87-61-655 % similar O-Terphenyl84-15-150 % similar 2,3,4,5,6-Pentachlorobiphenyl25429-29-246 % similar 1,2-Dichlorobenzene95-50-145 % similar 2,6-Diphenylphenol2432-11-344 % similar 1-Bromo-2,3-dichlorobenzene56961-77-444 % similar 5-(2,3-Dichlorophenyl)-2H-tetrazole175205-12-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,4′-Dichlorobiphenyl2050-68-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook