-
Name
1,1''-[1,2-Phenylenebis(methylene)]bis-4,4'-bipyridinium bishexafluorophosphate
- EINECS
- CAS No. 108861-16-1
- Article Data2
- CAS DataBase
- Density
- Solubility
- Melting Point
- Formula C28H24F12N4P2
- Boiling Point
- Molecular Weight 706.45
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,1''-[1,2-Phenylenebis(methylene)]bis-4,4'-bipyridiniumbishexafluorophosphate;
- PSA 60.72000
- LogP 11.24700
1,1''-[1,2-Phenylenebis(methylene)]bis-4,4'-bipyridinium bishexafluorophosphate Specification
This chemical is called 1,1''-[1,2-Phenylenebis(methylene)]bis-4,4'-bipyridinium bishexafluorophosphate, and its systematic name is 1,1'-(benzene-1,2-diyldimethanediyl)bis(4-pyridin-4-ylpyridinium) dihexafluorophosphate. With the molecular formula of C28H24F12N4P2, its molecular weight is 706.45. The CAS registry number of this chemical is 108861-16-1.
Other characteristics of the 1,1''-[1,2-Phenylenebis(methylene)]bis-4,4'-bipyridinium bishexafluorophosphate can be summarised as followings: (1)ACD/LogP: -3.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.07; (4)ACD/LogD (pH 7.4): -3.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 33.54 Å2.
You can still convert the following datas into molecular structure:
1.SMILES:F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.n1ccc(cc1)c2cc[n+](cc2)Cc3ccccc3C[n+]5ccc(c4ccncc4)cc5
2.InChI: InChI=1/C28H24N4.2F6P/c1-2-4-28(22-32-19-11-26(12-20-32)24-7-15-30-16-8-24)27(3-1)21-31-17-9-25(10-18-31)23-5-13-29-14-6-23;2*1-7(2,3,4,5)6/h1-20H,21-22H2;;/q+2;2*-1
3.InChIKey: MRIQERCGPOWJTG-UHFFFAOYAI
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