| Identification | Back Directory | [Name]
2,9-Dichloro-1,10-phenanthroline | [CAS]
29176-55-4 | [Synonyms]
VUF 7732
NSC 608430
MFCD02084186
2,9-Dichloro
9-Dichloro-1
2,9-Dichloro-o-phenanthroline
2,9-Dichloro-1,10-phenthroline
2,9-Dichloro-1,10-phenanthroline
1,10-Phenanthroline,2,9-dichloro-
2,9-Dichloro-1,10-phenanthroline> | [Molecular Formula]
C12H6Cl2N2 | [MDL Number]
MFCD02084186 | [MOL File]
29176-55-4.mol | [Molecular Weight]
249.1 |
| Chemical Properties | Back Directory | [Melting point ]
249-250℃ | [Boiling point ]
417.3±40.0 °C(Predicted) | [density ]
1.482±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [form ]
powder to crystal | [pka]
2.56±0.30(Predicted) | [color ]
White to Light yellow | [InChI]
InChI=1S/C12H6Cl2N2/c13-9-5-3-7-1-2-8-4-6-10(14)16-12(8)11(7)15-9/h1-6H | [InChIKey]
DNKGIDURJINUOA-UHFFFAOYSA-N | [SMILES]
N1C2C(=CC=C3C=2N=C(Cl)C=C3)C=CC=1Cl |
| Hazard Information | Back Directory | [Synthesis]
2,9-Dichlorophenanthroline was synthesized from the compound (CAS:39588-59-5) as starting material in the following steps: compound 3 was reacted with phosphorus pentachloride (2 equiv.) in phosphorus chloride solvent at 110 °C for 18 h to give compound 4 in 88% yield. | [structure and hydrogen bonding]
2,9-Dichloro-1,10-phenanthroline, C12H6Cl2N2, is almost planar (the r.m.s. deviation of C atoms is 0.04 Å). The C—N and C—C distances indicate the delocalization of the π-electrons in the aromatic fused-ring system.
| [References]
[1] Beilstein Journal of Organic Chemistry, 2014, vol. 10, p. 814 - 824
[2] European Journal of Inorganic Chemistry, 2017, vol. 2017, # 34, p. 4020 - 4027
[3] Chemistry - A European Journal, 2007, vol. 13, # 27, p. 7584 - 7594
[4] Organometallics, 2013, vol. 32, # 21, p. 6511 - 6521
[5] Chemistry - A European Journal, 2014, vol. 20, # 25, p. 7819 - 7829 |
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