Cas no 10478-02-1 (Benzoic acid,3,5-dinitro-, butyl ester)
10478-02-1 structure
Product Name:Benzoic acid,3,5-dinitro-, butyl ester
CAS No:10478-02-1
MF:C11H12N2O6
MW:268.222783088684
CID:176653
PubChem ID:517854
Update Time:2025-04-19
Benzoic acid,3,5-dinitro-, butyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3,5-dinitro-, butyl ester
- butyl 3,5-dinitrobenzoate
- Benzoic acid, 3,5-dinitro-, butyl ester
- LDMPZJOBKLVTKW-UHFFFAOYSA-N
- DTXSID10146721
- 10478-02-1
- SCHEMBL11358519
- n-Butyl 3,5-dinitrobenzoate
- 3,5-dinitro-benzoic acid butyl ester
-
- Inchi： 1S/C11H12N2O6/c1-2-3-4-19-11(14)8-5-9(12(15)16)7-10(6-8)13(17)18/h5-7H,2-4H2,1H3
- InChI Key： LDMPZJOBKLVTKW-UHFFFAOYSA-N
- SMILES： O(C(C1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])=O)CCCC
Computed Properties
- Exact Mass: 268.06956
- Monoisotopic Mass: 268.07
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 326
- 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: 2.7
- Topological Polar Surface Area: 118?2
Experimental Properties
- Density: 1.337
- Boiling Point: 389.8°Cat760mmHg
- Flash Point: 169.8°C
- Refractive Index: 1.561
- PSA: 112.58
- LogP: 3.50630
Benzoic acid,3,5-dinitro-, butyl ester Related Literature
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Tamilselvi Gurusamy,Rajendran Rajaram,Ganapathi Rao Kandregula,Kothandaraman Ramanujam Dalton Trans. 2023 52 6041
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2. 112. Organosilicon compounds. Part XXII. The thermal decomposition of some silicon-substituted organophosphorus compoundsA. E. Canavan,C. Eaborn J. Chem. Soc. 1962 592
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D. M. W. Anderson,J. L. Duncan,M. A. Herbich,S. S. H. Zaidi Analyst 1963 88 353
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4. 808. Organometallic compounds. Part I. The autoxidation of dialkylzincsM. H. Abraham J. Chem. Soc. 1960 4130
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Christopher L. Wilson J. Chem. Soc. 1945 52
10478-02-1 (Benzoic acid,3,5-dinitro-, butyl ester) Related Products
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- 14786-27-7(Benzyl 4-Nitrobenzoate)
- 618-71-3(Ethyl 3,5-dinitrobenzoate)
- 23218-93-1(Methyl 3-amino-5-nitrobenzoate)
- 99-77-4(ethyl-P-nitrobenzoate)
- 618-98-4(Ethyl 3-nitrobenzoate)
- 120-48-9(Benzoic acid, 4-nitro-,butyl ester)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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