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2，4-Dinitroaniline - analytical standard，for environmental analysis, high purity , CAS No.97-02-9
Basic Description
Synonyms
2,4-DINITROANILINE | 97-02-9 | Benzenamine, 2,4-dinitro- | 1-Amino-2,4-dinitrobenzene | 2,4-Dinitroanilin | 2,4-Dinitrobenzenamine | 2,4-Dinitroanilina | 2,4-Dinitraniline | 2,4-Dinitrophenylamine | Aniline, 2,4-dinitro- | 2,4-dinitroaminobenzene | NSC 8731 | 2,4-Nitroaniline | 2,
Specifications & Purity
analytical standard, for environmental analysis
Storage Temp
Protected from light
Shipped In
Normal
Grade
analytical standard, for environmental analysis
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Dinitroanilines
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary amines Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dinitroaniline - Nitrobenzene - Nitroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic zwitterion - Primary amine - Organonitrogen compound - Amine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as dinitroanilines. These are organic compounds containing an aniline moiety, which is substituted at 2 positions by a nitro group.
External Descriptors
nitroaniline
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2,4-dinitroaniline
INCHI
InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2
InChIKey
LXQOQPGNCGEELI-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
Isomeric SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
WGK Germany
3
RTECS
BX9100000
UN Number
1596
Packing Group
II
Molecular Weight
183.13
Beilstein
982999
Reaxy-Rn
982999
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=982999&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light sensitive.
Flash Point(°F)
435.2 °F
Flash Point(°C)
223.9℃
Melt Point(°C)
176-178°C
Molecular Weight
183.120 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
183.028 Da
Monoisotopic Mass
183.028 Da
Topological Polar Surface Area
118.000 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
221.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
Citations of This Product
1.
Yu-Fen Bao, Yi-Jie Wang, Yu-Chen Wang, Ding-Hua Liu.
(2023)
Homogeneous base catalyst with high activity and stability for synthesis of dimethyl carbonate by transesterification. RSC Advances,
13
(14):
(9347-9352).
2.
Wensheng Wei, Yuxin Wang, Zizhen Yan, Jiaxiang Hou, Guangwen Xu, Lei Shi.
(2023)
One-step DMC synthesis from CO2 under catalysis of ionic liquids prepared with 1,2-propylene glycol. CATALYSIS TODAY,
418
(114052).
3.
Chuanrui Qin, Mengtao Dang, Yifei Meng, Dongfeng Zhao.
(2023)
Fusion calorimetric experiments and QSPR modeling to inversely explore the accuracy of thermodynamic methods: A case study of the apparent activation energies of 18 aromatic nitro compounds. PROCESS SAFETY AND ENVIRONMENTAL PROTECTION,
172
(659).
4.
Shuangying Li, Qingxiang Zhou, Zhi Li, Menghua Liu, Yanhui Li, Chunmao Chen.
(2023)
Effective and selective measurement of 2,4-dinitroaniline utilizing constructed fluorescent carbon dots sensor derived from vitamin B1. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,
286
(122040).
5.
Fei Chen, Wensheng Wei, Yunsheng Gao, Yuxin Wang, Zizhen Yan, Zhanguo Zhang, Haiming Yu, Guangwen Xu, Lei Shi.
(2022)
Synthesis of highly effective [Emim]IM applied in one-step CO2 conversion to dimethyl carbonate. Journal of CO2 Utilization,
65
(102178).
6.
Maolin Wang, Tingwen Wei, Long Jiang, Jing Wang, Yajing Li, Wenyan Wu, Xiaojian Huang, Fang Wang, Sheng Lu, Xiaoqiang Chen.
(2022)
A naphthalimide-based fluorescent probe for quantitative sensing of UV light. DYES AND PIGMENTS,
206
(110673).
7.
Zhou Lan, Yangcheng Lu.
(2022)
How the substrate affects amination reaction kinetics of nitrochlorobenzene. Reaction Chemistry & Engineering,
7
(4):
(833-838).
8.
Li Shusheng, Yang Shanshan, Zhu Xiaoli, Jiang Xubao, Kong Xiang Zheng.
(2019)
Easy preparation of superoleophobic membranes based on cellulose filter paper and their use for water–oil separation. CELLULOSE,
26
(11):
(6813-6823).
9.
Xu Xiuzhu, Chen Shuixia, Zhuang Linzhou, Zheng Chunhao, Wu Yingzhu.
(2014)
Establishment of a novel surface-imprinting system for melamine recognition and mechanism of template–matrix interactions. JOURNAL OF MATERIALS SCIENCE,
49
(7):
(2853-2863).
10.
Yali Yang, Jia Chen, Xiaojing Liang, Bei Liu, Kaijun Quan, Xiuhui Liu, Hongdeng Qiu.
(2024)
Adjustable chromatographic performance of silica-based mixed-mode stationary phase through the control of co-grafting amounts of imidazole and C18 chain. JOURNAL OF CHROMATOGRAPHY A,
1722
(464889).
11.
Mingye Li, Yuyu Dong, Zheng Wang, Yanjun Zhao, Yujie Dai, Baoxin Zhang.
(2024)
Engineering Hypoxia-Responsive 6-Aminonicotinamide Prodrugs for On-Demand NADPH Depletion and Redox Manipulation. Journal of Materials Chemistry B,
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11 Citations
F1208037