2,9-Dichloro-1,10-phenanthroline CAS 29176-55-4
Introduction：Basic information about 2,9-Dichloro-1,10-phenanthroline CAS 29176-55-4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
2,9-Dichloro-1,10-phenanthroline Basic information
| Product Name: | 2,9-Dichloro-1,10-phenanthroline |
| Synonyms: | 2,9-Dichloro-1,10-phenanthroline;1,10-Phenanthroline,2,9-dichloro-;2,9-Dichloro-o-phenanthroline;NSC 608430;VUF 7732;MFCD02084186;2,9-Dichloro-1,10-phenthroline;2,9-Dichloro-1,10-phenanthroline> |
| CAS: | 29176-55-4 |
| MF: | C12H6Cl2N2 |
| MW: | 249.1 |
| EINECS: | |
| Product Categories: | Electronic Chemicals |
| Mol File: | 29176-55-4.mol |
2,9-Dichloro-1,10-phenanthroline Chemical Properties
| Melting point | 249-250℃ |
| Boiling point | 417.3±40.0 °C(Predicted) |
| density | 1.482±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 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 |
Safety Information
| HS Code | 2933.99.8290 |
| Uses | 2,9-Dichloro-1,10-phenanthroline is used in organic building blocks and general reagents. |
| Synthesis | 39588-59-5 29176-55-4 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 |
2,9-Dichloro-1,10-phenanthroline Preparation Products And Raw materials
| Raw materials | 1,10-Phenanthroline-2,9-dione, 1,10-dihydro--->1,10-Phenanthroline 1-oxide-->9-Chloro-1-methyl-1,10-phenanthrolin-2(1H)-one-->N,N'-TRIMETHYLENE-1,10-*PHENANTHROLINIUM DIBROMIDE-->5H-[1,4]Diazepino[1,2,3,4-lmn][1,10]phenanthroline-3,9-dione, 6,7-dihydro--->1,10-Phenanthrolin-2(1H)-one, 1-methyl--->2-Chloro-1,10-phenanthroline-->1,10-Phenanthroline hydrate-->o-Phenanthroline |
| Preparation Products | 2,9-dichloro-1,10-phenanthroline-5,6-quinone-->2,9-bis(4-methoxyphenyl)-1,10-phenanthroline-->1,10-Phenanthroline-2,9-diamine |
