4,7-Dichloro-1,10-phenanthroline

C12H6Cl2N2CAS 5394-23-0249.09 g/mol

Open in Covalent MOL file
ClNClN
Aryl halide

Properties

Molecular formula
C12H6Cl2N2
Molar mass
249.09 g/mol
Exact mass
247.9908 Da
Melting point
249–250 °C
logP
4.09Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
5394-23-0
SMILES
Clc1ccnc2c1ccc1c(Cl)ccnc12
InChIKey
GIEQBYJCGYHHSU-UHFFFAOYSA-N
InChI
InChI=1S/C12H6Cl2N2/c13-9-3-5-15-11-7(9)1-2-8-10(14)4-6-16-12(8)11/h1-6H

Weigh it out

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

Names and synonyms

3 names
  • 1,10-Phenanthroline, 4,7-dichloro-
  • 4,7-Dichloro-o-phenanthroline
  • NSC 626

Work with 4,7-Dichloro-1,10-phenanthroline

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

4,8-Dichloroquinoline21617-12-971 % similar 4-Chloro-8-methylquinoline18436-73-261 % similar 4-Chloro-8-fluoroquinoline63010-72-061 % similar 4-Chloro-8-(trifluoromethyl)quinoline23779-97-755 % similar 4-Chloroquinoline611-35-852 % similar 4,7-Dichloroquinoline86-98-652 % similar 5-Chloro-1,10-phenanthroline4199-89-750 % similar 5-Chloro-8-hydroxyquinoline130-16-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,9-Dichloro-1,10-phenanthroline29176-55-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook