Nitrosobenzene(NOB) - ≥98%(GC) , CAS No.586-96-9

CAS: 586-96-9 Cat. No.: N159156 Peso molecular: 107.11 Beilstein Registry Number: 605688 Número EC: 209-591-1

GRADE & PURITY ≥98%(GC)

Synonyms

NOB | ZI9W9E8G2Z | keto-aniline | NITROSOBENZENE | nitroso-benzene | AKOS000283822 | NSC66479 | NSC-66479 | I10262 | CHEBI:27986 | doi:10.14272/NLRKCXQQSUWLCH-UHFFFAOYSA-N.1 | A831981 | BDBM50065935 | FT-0653878 | MFCD00002059 | EN300-172931 | EINECS 209-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Nitrosobenzene is a spin trap reagent. It has been used in the study of oxidative DNA damage and nitroso-compound-induced respiratory burst in neutrophils.

Specifications

Sinónimos

NOB | ZI9W9E8G2Z | keto-aniline | NITROSOBENZENE | nitroso-benzene | AKOS000283822 | NSC66479 | NSC-66479 | I10262 | CHEBI:27986 | doi:10.14272/NLRKCXQQSUWLCH-UHFFFAOYSA-N.1 | A831981 | BDBM50065935 | FT-0653878 | MFCD00002059 | EN300-172931 | EINECS 209-

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504752134
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752134
• Sonrisas canónicas: C1=CC=C(C=C1)N=O
• IUPAC Name: nitrosobenzene
• InChIKey: NLRKCXQQSUWLCH-UHFFFAOYSA-N
• INCHI: 1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
• Isómeros SMILES: C1=CC=C(C=C1)N=O
• WGK Alemania: 3
• RTECS: DA6497525
• Número ONU: 2811
• Grupo de embalaje: III
• Peso molecular: 107.11
• Beilstein: 605688
• Reaxy-Rn: 605688
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605688&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds C-nitroso compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic nitroso compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - C-nitroso compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: an aromatic compound

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.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in chloroform (100 mg/ml), toluene, ethanol, and ether. Insoluble in water.
• Sensibilidad: Heat & Light & Air sensitive
• Punto de ebullición (°C): 57 °C/18 mmHg
• Punto de fusión (°C): 66 °C
• Peso molecular: 107.110 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 107.037 Da
• Monoisotopic Mass: 107.037 Da
• Topological Polar Surface Area: 29.400 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.600
• 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

Referencias

1. Yinjian Zheng, Zhiyuan Wang, Peng Chen, Wenbiao Zhang, Qingsheng Gao.  (2023)  Roughness-Dependent Electro-Reductive Coupling of Nitrobenzenes and Aldehydes on Copper Electrodes.  ChemSusChem,  16  (14): (e202300180).  [PMID:36988187] [10.1002/cssc.202300180]

2. Zichen Zhang, Donglin Yang, Jiaqiang Wang, Chaoting Deng, Hengjun Gai, Meng Xiao, Tingting Huang, Quanhong Zhu, Hongbing Song.  (2022)  How to active ethanolamine for selective hydrogenation by imidazolium-based cation and conjugated π bond.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2022.112809]

3. P.K. Zhou, K.Y. Song, L.L. Zong, Z.C. Yang, H.H. Li, Z.R. Chen.  (2022)  Enhanced ternary memory performances with high-temperature tolerance in AIE@PBI composites by tuning the azobenzol substituents on tetraphenylethylene.  Materials Today Chemistry,      [PMID:] [10.1016/j.mtchem.2022.100941]

4. Ying Lü, Jianfa Li, Yimin Li, Liping Liang, Huaping Dong, Kun Chen, Chunxia Yao, Zhanfeng Li, Jinxiang Li, Xiaohong Guan.  (2018)  The roles of pyrite for enhancing reductive removal of nitrobenzene by zero-valent iron.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2018.09.086]

5. Yan-Fei Liang, Ze-Xin Niu, Zi-Wen Wu, Qing-Yang Zhang, Xin-Yi Zhao, Lei-Lei Chao, Heng Li, Wen-Yun Gao.  (2024)  Catalytic Insights of Acetolactate Synthases from Different Bacteria.  ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS,      [PMID:39617118] [10.1016/j.abb.2024.110248]

6. Jiahui Xu, Xianlang Chen, Jia-qi Bai, Zhengan Miao, Yuan Tan, Nannan Zhan, Huangfei Liu, Mei Ma, Mengdie Cai, Qin Cheng, Song Sun.  (2024)  Efficient Co/NSPC catalyst for selective hydrogenation of halonitrobenzenes and mechanistic insight.  Catalysis Science & Technology,  14  (5): (1167-1180).  [PMID:] [10.1039/D3CY01767B]

7. Shuchen Wang, Kai He, Yuanfang Lai, Feng He.  (2024)  Enhanced removal of nitrobenzene with lignosulfonate modified zero valent iron: removal kinetic, reaction mechanism, and application feasibility.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2024.112023]

8. Hui Wang, Kunyang Liu, Kai Zhang, Jiazuo Zhou, Yifan Liu, Wenbo Zhang, Xin Dong, Chengyu Wang, Shaoliang Xiao, Haiyue Yang.  (2024)  Optically controlled phase change wood for energy storage and heat release.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2024.114798]

9. Hanghang Zhang, Yingxi Zhang, Manli Yu, Chong Cao, Pengyue Zhao, Qiliang Huang, Lidong Cao.  (2025)  Photo-responsive supramolecular hydrogels to enhance pesticide bioavailability through multiple structural transformations.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.159473]

10. Jia-qi Bai, Jiahui Xu, Mei Ma, Zhengan Miao, Jiawen Yu, Huangfei Liu, Zhangkai Qian, Mengdie Cai, Qin Cheng, Yong Jiang, Song Sun.  (2024)  Photo-thermal Catalytic Hydrogenation of Halogenated Nitrobenzenes over Ni/P25 Catalyst.  LANGMUIR,      [PMID:38809579] [10.1021/acs.langmuir.4c01132]

11. Jiaxin Li, Ganceng Yang, Yanqing Jiao, Hongyan Sun, Jiaqi Wang, Yue Liu, Chungui Tian, Haijing Yan, Honggang Fu.  (2025)  Charge redistribution of Mo-incorporated Fe2Ni2N customizes potential-determining step for highly selective electroreduction of nitrobenzene to azoxybenzene.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2025.125358]

12. Hong-Da Zhang, Wei-Yao Yang, Miao Pang, Ya-Qiao Tian, Shi-Chao Su, Zhi-Ping Zhao, Le Sang.  (2025)  Hydrophobic Ni foam catalyst for nitrobenzene hydrogenation enhancement in micropacked bed reactors.  AICHE JOURNAL,      [PMID:] [10.1002/aic.18846]

13. Qingqing Sun, Mengyuan Wang, Qingqing Wen, Haili Dong, Yanchao Lyu, Jie Han, Rong Guo.  (2025)  Hydrolytic degradation of nerve agent simulants accelerated by host-guest gold nanozymes.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.163290]

14. Yinning Lin, Shuting Li, Huiping Yang, Qian Mo, Siying Lyu, Haikun Luo, Fan Yang, Xinchun Li, Fan Xia.  (2026)  Photoresponsive and Reusable Chiral Metal–Organic Framework Hybrid Nanochannel Membrane for Drug Enantioseparation.  ACS Applied Materials & Interfaces,      [PMID:41614717] [10.1021/acsami.5c20330]