Cas no 4097-57-8 (Phenol, 2,6-dinitro-4-(phenylmethyl)-)
4097-57-8 structure
Product Name:Phenol, 2,6-dinitro-4-(phenylmethyl)-
CAS No:4097-57-8
MF:C13H10N2O5
MW:274.22890329361
CID:1512545
Update Time:2024-08-23
Phenol, 2,6-dinitro-4-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
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- Phenol, 2,6-dinitro-4-(phenylmethyl)-
- 3.5-dinitro-4-oxy-diphenylmethane
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- Inchi： 1S/C13H10N2O5/c16-13-11(14(17)18)7-10(8-12(13)15(19)20)6-9-4-2-1-3-5-9/h1-5,7-8,16H,6H2
- InChI Key： XQFXGRBSSCSNRT-UHFFFAOYSA-N
- SMILES： C1(O)=C([N+]([O-])=O)C=C(CC2=CC=CC=C2)C=C1[N+]([O-])=O
Computed Properties
- Exact Mass: 274.059
Experimental Properties
- Density: 1.436±0.06 g/cm3(Predicted)
- Boiling Point: 395.4±37.0 °C(Predicted)
- PSA: 106.51
- pka: 7.13±0.10(Predicted)
Phenol, 2,6-dinitro-4-(phenylmethyl)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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