Cas no 3264-71-9 (1,2,3-Benzenetriol,4,6-dinitro-)
3264-71-9 structure
Product Name:1,2,3-Benzenetriol,4,6-dinitro-
CAS No:3264-71-9
MF:C6H4N2O7
MW:216.10516166687
CID:295288
PubChem ID:4529307
Update Time:2025-04-19
1,2,3-Benzenetriol,4,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Benzenetriol,4,6-dinitro-
- 4,6-dinitrobenzene-1,2,3-triol
- 4,6-DINITROPYROGALLOL
- 1,2,3-Benzenetriol,4,6-dinitro
- 4.6-Dinitro-1.2.3-trihydroxy-benzol
- InChI=1/C6H4N2O7/c9-4-2(7(12)13)1-3(8(14)15)5(10)6(4)11/h1,9-11
- BDBM50234651
- DTXSID60403977
- SCHEMBL1283748
- FT-0634753
- 3264-71-9
- AKOS015916705
- 3-AMINO-3-(3-HYDROXY-4-NITRO-PHENYL)-PROPIONICACID
- CHEMBL400737
-
- Inchi： 1S/C6H4N2O7/c9-4-2(7(12)13)1-3(8(14)15)5(10)6(4)11/h1,9-11H
- InChI Key： JJPIRJNQXIJGPL-UHFFFAOYSA-N
- SMILES： OC1C(=C(C(=CC=1[N+](=O)[O-])[N+](=O)[O-])O)O
Computed Properties
- Exact Mass: 216.00200
- Monoisotopic Mass: 216.00185047g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 246
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 24
- XLogP3: nothing
- Topological Polar Surface Area: 152?2
Experimental Properties
- Color/Form: Not determined
- Melting Point: 209-211?°C(lit.)
- PSA: 152.33000
- LogP: 1.66620
- Solubility: Not determined
1,2,3-Benzenetriol,4,6-dinitro- Security Information
- Hazardous Material transportation number：UN 2811
- WGK Germany：3
- Hazard Category Code： 20/21/22
- Safety Instruction： S26; S27; S28; S36/37/39
-
Hazardous Material Identification：
- HazardClass：6.1(b)
- PackingGroup：II
- Packing Group：II
- Hazard Level：6.1(b)
- Safety Term：6.1(b)
- Packing Group：II
- Risk Phrases：R20/21/22
1,2,3-Benzenetriol,4,6-dinitro- Related Literature
-
Serhii I. Vasylevskyi,Khrystyna Regeta,Albert Ruggi,Stéphane Petoud,Claude Piguet,Katharina M. Fromm Dalton Trans. 2018 47 596
-
2. CCCLIII.—Derivatives of 1 : 2 : 3 : 4-tetrahydroxybenzene. Part IWilson Baker,Hilary Annot Smith J. Chem. Soc. 1931 2542
-
3. Crown-ether functionalised second coordination sphere palladium catalysts by molecular imprintingFlorian Viton,Peter S. White,Michel R. Gagné catalysts by molecular imprinting. Florian Viton Peter S. White Michel R. Gagné Chem. Commun. 2003 3040
-
4. Formula index
3264-71-9 (1,2,3-Benzenetriol,4,6-dinitro-) Related Products
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