Cas no 73771-13-8 (Phenol,2,4,6-trinitro-, sodium salt, hydrate (1:1:1))
73771-13-8 structure
Product Name:Phenol,2,4,6-trinitro-, sodium salt, hydrate (1:1:1)
CAS No:73771-13-8
MF:C6H4N3NaO8
MW:269.10103225708
CID:568918
PubChem ID:3056390
Update Time:2025-04-19
Phenol,2,4,6-trinitro-, sodium salt, hydrate (1:1:1) Chemical and Physical Properties
Names and Identifiers
-
- Phenol,2,4,6-trinitro-, sodium salt, hydrate (1:1:1)
- sodium,2,4,6-trinitrophenolate,hydrate
- 73771-13-8
- DTXSID40224142
- Sodium picrate monohydrate
- Picric acid, sodium salt, hydrate
- Phenol, 2,4,6-trinitro-, sodium salt, hydrate
-
- Inchi： 1S/C6H3N3O7.Na.H2O/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16;;/h1-2,10H;;1H2/q;+1;/p-1
- InChI Key： QPLRMNSYVHRSDW-UHFFFAOYSA-M
- SMILES： [Na+].[O-]C1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].O
Computed Properties
- Exact Mass: 268.98960838g/mol
- Monoisotopic Mass: 268.98960838g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 292
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 162?2
Experimental Properties
- Boiling Point: 82°C
Phenol,2,4,6-trinitro-, sodium salt, hydrate (1:1:1) Related Literature
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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