Cas no 1523-15-5 (Phenol, 2,4-dinitro-,1-benzoate)
1523-15-5 structure
Product Name:Phenol, 2,4-dinitro-,1-benzoate
CAS No:1523-15-5
MF:C13H8N2O6
MW:288.212423324585
CID:188507
PubChem ID:247658
Update Time:2025-04-19
Phenol, 2,4-dinitro-,1-benzoate Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,4-dinitro-,1-benzoate
- (2,4-dinitrophenyl) benzoate
- 2,4-dinitrophenylbenzoate
- AC1L6KQK
- AC1Q619H
- AR-1D3792
- Benzoesaeure-(2,4-dinitro-phenylester)
- Benzoesaeure-< 2,4-dinitro-phenylester>
- Benzoesaeure-2.4-dinitro-phenylester
- benzoic acid-(2,4-dinitro-phenyl ester)
- CTK4C7403
- NCIOpen2_002739
- NSC62648
- O-benzoyl-2,4-dinitrophenol
- NSC-62648
- AKOS002710429
- 2,4-dinitrophenyl benzoate
- DTXSID10289667
- 1523-15-5
- CHEMBL3272646
-
- Inchi： 1S/C13H8N2O6/c16-13(9-4-2-1-3-5-9)21-12-7-6-10(14(17)18)8-11(12)15(19)20/h1-8H
- InChI Key： HQRCXANPDFUQGC-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1)=O)C1C=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 288.03824
- Monoisotopic Mass: 288.03823598g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 410
- 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
- XLogP3: 3
- Topological Polar Surface Area: 118?2
Experimental Properties
- PSA: 112.58
- LogP: 3.76860
Phenol, 2,4-dinitro-,1-benzoate Related Literature
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1. Acyl–oxygen versus aryl–oxygen bond scission in reactions of benzenethiolate with nitrophenyl esters of carboxylic acidsGiuseppe Guanti,Carlo Dell'Erba,Francesca Pero,Giuseppe Leandri J. Chem. Soc. Perkin Trans. 2 1977 966
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Ik-Hwan Um,Li-Ra Im,Eun-Hee Kim,Ji Hye Shin Org. Biomol. Chem. 2010 8 3801
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3. Partial protection of carbohydrate derivatives. Part 1. Specific N-debenzoylation of fully benzoylated adenosine and cytidine with phenols and alcohols; active N-benzoyl groupsYoshiharu Ishido,Nobuo Nakazaki,Nobuo Sakairi J. Chem. Soc. Perkin Trans. 1 1977 657
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4. 11??Reaction mechanisms Part (ii) Polar reactionsKevin N. Dalby Annu. Rep. Prog. Chem. Sect. B: Org. Chem. 2005 101 264
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5. Elimination–addition mechanisms of acyl-group transfer reactions: a novel E1cB mechanism in the hydrolysis of 2,4-dinitrophenyl 4-hydroxybenzoateSergio Thea,Giuseppe Guanti,Giovanni Petrillo,Andrew Hopkins,Andrew Williams J. Chem. Soc. Chem. Commun. 1982 577
1523-15-5 (Phenol, 2,4-dinitro-,1-benzoate) Related Products
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