Cas no 14309-42-3 (Benzoic acid, 4-nitro-,pentyl ester)
14309-42-3 structure
Product Name:Benzoic acid, 4-nitro-,pentyl ester
CAS No:14309-42-3
MF:C12H15NO4
MW:237.251803636551
CID:205850
PubChem ID:84341
Update Time:2025-04-19
Benzoic acid, 4-nitro-,pentyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-nitro-,pentyl ester
- 4-nitro-Benzoic acid, pentyl ester
- pentyl 4-nitrobenzoate
- 4-Nitrobenzoic acid, pentyl ester
- Amyl p-nitrobenzoate
- 4-Nitrobenzoic acid pentyl ester
- NS00024651
- Pentyl 4-nitrobenzoate #
- BFKGHSXQYBELBN-UHFFFAOYSA-N
- EINECS 238-247-3
- Benzoic acid, 4-nitro-, pentyl ester
- SCHEMBL10937479
- 14309-42-3
- DTXSID7065752
-
- Inchi： 1S/C12H15NO4/c1-2-3-4-9-17-12(14)10-5-7-11(8-6-10)13(15)16/h5-8H,2-4,9H2,1H3
- InChI Key： BFKGHSXQYBELBN-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)[N+](=O)[O-])=O)CCCCC
Computed Properties
- Exact Mass: 237.1
- Monoisotopic Mass: 237.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 254
- 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: 4
- Topological Polar Surface Area: 72.1A^2
Experimental Properties
- Density: 1.156
- Boiling Point: 355.2°Cat760mmHg
- Flash Point: 149.3°C
- Refractive Index: 1.527
Benzoic acid, 4-nitro-,pentyl ester Related Literature
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1. CCXVI.—Mobile anion tautomerism. Part II. A complementary study of the mechanism of anionotropic change, with special reference to the fate of the mobile anionHarold Burton J. Chem. Soc. 1928 1650
-
Feng Xie,Fengxia Yan,Mengmeng Chen,Min Zhang RSC Adv. 2014 4 29502
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Donald W. Browne,G. Malcolm Dyson J. Chem. Soc. 1934 178
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4. 314. Organic peroxides. Part I. The preparation of alkyl hydroperoxides from hydrogen peroxideA. G. Davies,R. V. Foster,A. M. White J. Chem. Soc. 1953 1541
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5. Formula index
14309-42-3 (Benzoic acid, 4-nitro-,pentyl ester) Related Products
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