Cas no 94-22-4 (Benzoic acid, 4-nitro-,propyl ester)
94-22-4 structure
Product Name:Benzoic acid, 4-nitro-,propyl ester
Benzoic acid, 4-nitro-,propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-nitro-,propyl ester
- PROPYL 4-NITROBENZOATE
- FT-0705512
- NSC 406847
- KXUOYHZSTGGNCK-UHFFFAOYSA-N
- 2,3-Difluoro-4- bromobenzoic acid
- DTXSID00240186
- Benzoic acid, p-nitro-, propyl ester
- NSC-406847
- AKOS003239618
- p-Nitrobenzoesaure-n-propylester
- p-Nitrobenzoic acid, n-propyl ester
- Benzoic acid, 4-nitro-, propyl ester
- NSC406847
- n-Propyl p-nitrobenzoate
- 94-22-4
- SCHEMBL1246017
- Propyl p-nitrobenzoate
-
- Inchi： 1S/C10H11NO4/c1-2-7-15-10(12)8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3
- InChI Key： KXUOYHZSTGGNCK-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)[N+](=O)[O-])=O)CCC
Computed Properties
- Exact Mass: 209.068808
- Monoisotopic Mass: 209.068808
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 228
- 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: 2.9
- Topological Polar Surface Area: 72.1
Experimental Properties
- Density: 1.214
- Boiling Point: 328.1°C at 760 mmHg
- Flash Point: 148.1°C
- Refractive Index: 1.537
Benzoic acid, 4-nitro-,propyl ester Related Literature
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Weixuan Zeng,Ouissam El Bakouri,Henrik Ottosson Chem. Sci., 2021,12, 6159-6171
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
94-22-4 (Benzoic acid, 4-nitro-,propyl ester) Related Products
- 2702-58-1(Methyl 3,5-dinitrobenzoate)
- 610-93-5(6-Nitrophthalide)
- 618-71-3(Ethyl 3,5-dinitrobenzoate)
- 13290-96-5(Dimethyl 5-nitroisophthalate)
- 619-50-1(Methyl 4-nitrobenzoate)
- 1955-46-0(Methyl 5-Nitroisophthalate)
- 618-95-1(Methyl 3-nitrobenzoate)
- 99-77-4(ethyl-P-nitrobenzoate)
- 618-98-4(Ethyl 3-nitrobenzoate)
- 30650-90-9(Ethyl 3-methyl-4-nitrobenzoate)
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