Cas no 26446-73-1 (Phosphoric acid,bis(methylphenyl) phenyl ester)
26446-73-1 structure
Product Name:Phosphoric acid,bis(methylphenyl) phenyl ester
CAS No:26446-73-1
MF:C20H19O4P
MW:354.336226701736
CID:269793
Update Time:2024-01-27
Phosphoric acid,bis(methylphenyl) phenyl ester Chemical and Physical Properties
Names and Identifiers
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- Phosphoric acid,bis(methylphenyl) phenyl ester
- bis(methylphenyl) phenyl phosphate
- 2-methylphenyl 4-methylphenyl phenyl phosphate
- Dicresyl phenyl phosphate
- Phosphoric acid, bis(methylphenyl) phenyl ester
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- Inchi： 1S/C20H19O4P/c1-16-10-6-8-14-19(16)23-25(21,22-18-12-4-3-5-13-18)24-20-15-9-7-11-17(20)2/h3-15H,1-2H3
- InChI Key： XSRQYQRFQNGZKR-UHFFFAOYSA-N
- SMILES： P(OC1=CC=CC=C1C)(OC1=CC=CC=C1C)(OC1=CC=CC=C1)=O
Computed Properties
- Exact Mass: 354.10217
- Monoisotopic Mass: 354.102096
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 6
- Complexity: 441
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 44.8
Experimental Properties
- Density: 1.22
- Boiling Point: 412°Cat760mmHg
- Flash Point: 216.5°C
- Refractive Index: 1.584
- PSA: 44.76
- LogP: 5.94830
Phosphoric acid,bis(methylphenyl) phenyl ester Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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