Cas no 57442-24-7 (Benzene,1,3-diethyl-2-nitro-)
Benzene,1,3-diethyl-2-nitro- structure
Product Name:Benzene,1,3-diethyl-2-nitro-
CAS No:57442-24-7
MF:C10H13NO2
MW:179.215722799301
CID:373983
PubChem ID:3017072
Update Time:2025-04-19
Benzene,1,3-diethyl-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,3-diethyl-2-nitro-
- 1,3-diethyl-2-nitrobenzene
- 1,3-diethyl-2-nitro-benzene
- SCHEMBL10944668
- 57442-24-7
- Benzene, 1,3-diethyl-2-nitro-
- DTXSID10206056
-
- Inchi： 1S/C10H13NO2/c1-3-8-6-5-7-9(4-2)10(8)11(12)13/h5-7H,3-4H2,1-2H3
- InChI Key： TUEWNQTZFYCGPG-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(=CC=CC=1CC)CC)=O
Computed Properties
- Exact Mass: 179.09469
- Monoisotopic Mass: 179.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 164
- 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: 3.2
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- Density: 1.073
- Boiling Point: 245.4°Cat760mmHg
- Flash Point: 93.2°C
- Refractive Index: 1.534
- PSA: 43.14
Benzene,1,3-diethyl-2-nitro- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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