Cas no 6973-78-0 (Benzeneacetic acid, a-ethyl-4-nitro-, ethyl ester)
6973-78-0 structure
Product Name:Benzeneacetic acid, a-ethyl-4-nitro-, ethyl ester
CAS No:6973-78-0
MF:C12H15NO4
MW:237.251803636551
CID:523218
PubChem ID:237528
Update Time:2025-04-19
Benzeneacetic acid, a-ethyl-4-nitro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetic acid, a-ethyl-4-nitro-, ethyl ester
- ethyl 2-(4-nitrophenyl)butanoate
- 2-(4-Nitro-phenyl)-buttersaeure-aethylester
- 2-(4-Nitrophenyl)-buttersaeureethylester
- 2-(4-nitro-phenyl)-butyric acid ethyl ester
- ethyl 2-(4'-nitrophenyl)butyrate
- ethyl 2-(4-nitrophenyl)-n-butyrate
- 6973-78-0
- NSC 41162
- DTXSID30285242
- ethyl 2-(4-nitrophenyl)butanoate;2,4-Dihydroxybenzoic acid
- ethyl alpha-(4-nitrophenyl)-butyrate
- SCHEMBL11038742
- LBEVBNULNXDPFP-UHFFFAOYSA-N
- NSC-41162
- A843354
- NSC41162
- Indobufen Impurity 33
-
- Inchi： 1S/C12H15NO4/c1-3-11(12(14)17-4-2)9-5-7-10(8-6-9)13(15)16/h5-8,11H,3-4H2,1-2H3
- InChI Key： LBEVBNULNXDPFP-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C1C=CC(=CC=1)[N+](=O)[O-])CC)=O
Computed Properties
- Exact Mass: 237.10000
- 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: 5
- Complexity: 266
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- Density: 1.16
- Boiling Point: 335.5°C at 760 mmHg
- Flash Point: 136.2°C
- Refractive Index: 1.525
- PSA: 72.12000
- LogP: 3.17470
Benzeneacetic acid, a-ethyl-4-nitro-, ethyl ester Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
6973-78-0 (Benzeneacetic acid, a-ethyl-4-nitro-, ethyl ester) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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