This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
External Descriptors
C-nitro compound - phenols
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.
Slightly soluble in water; Very soluble in Alcohol; Soluble in Methanol,Ether
Flash Point(°F)
212 °F
Flash Point(°C)
100 °C
Melt Point(°C)
140°C-148°C
Molecular Weight
154.120 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
0
Exact Mass
154.038 Da
Monoisotopic Mass
154.038 Da
Topological Polar Surface Area
92.100 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
156.000
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
References
1.Fu Fengping, He Qian, Zhao Shizheng, Zhu Ting, Liao Fang. (2021) Synthesis of photoluminescent m-phenylenediamine-Rhodamine B copolymer dots: selective ultrahigh photocatalytic performance for catalytic reduction of nitro-compound. RESEARCH ON CHEMICAL INTERMEDIATES, 47 (10):(4173-4192). [PMID:][10.1007/s11164-021-04512-9]
2.Fu Yang, Jin Wang, Shuying Gao, Shijian Zhou, Yan Kong. (2020) Record-high catalytic hydrogenated activity in nitroarenes reduction derived from in-situ nascent active metals enabled by constructing bimetallic phosphate. Molecular Catalysis, [PMID:][10.1016/j.mcat.2020.110873]
3.Lala Rukh Sidra, Guofei Chen, Nafeesa Mushtaq, Kai Ma, Beenish Bashir, Xingzhong Fang. (2018) Processable poly(benzoxazole imide)s derived from asymmetric benzoxazole diamines containing 4-phenoxy aniline: synthesis, properties and the isomeric effect. Polymer Chemistry, 9 (20):(2785-2796). [PMID:][10.1039/C8PY00382C]
4.Kun Hu, Pei Chen, Qiang Weng, Dingqian Shi, Ran Chen, Xinbing Chen, Zhongwei An. (2015) Preparation and properties of lateral monofluoro-substituted benzoxazole-based mesogenic compounds. LIQUID CRYSTALS, [PMID:][10.1080/02678292.2015.1069412]
5.Kun Hu, Pei Chen, Qiang Weng, Dingqian Shi, Ran Chen, Xinbing Chen, Zhongwei An. (2015) Improved mesophase stability of benzoxazole derivatives via dipole moment modification. LIQUID CRYSTALS, [PMID:][10.1080/02678292.2015.1084656]
6.Pei Chen, Yiwei Xu, Weisong Du, Guangping Zhang, Xinbing Chen, Zhongwei An. (2014) New Mesogenic Compounds Containing a Terminal-Substituted Benzoxazole Unit. MOLECULAR CRYSTALS AND LIQUID CRYSTALS, [PMID:][10.1080/15421406.2013.837997]
7.Yiwei Xu, Xinbing Chen, Fengqi Zhao, Xuezhong Fan, Pei Chen, Zhongwei An. (2013) Synthesis and properties of substituted benzoxazole-terminated liquid crystals. LIQUID CRYSTALS, [PMID:][10.1080/02678292.2012.735709]
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