1-Ethyl-2-nitrobenzene solution - analytical standard, 1000ug/ml in methanol , CAS No.612-22-6

CAS: 612-22-6 Cat. No.: N117377 Peso molecular: 151.16 Beilstein Registry Number: 1865655 Número EC: 210-299-1

GRADE & PURITY Analytical standard, 1000ug/ml in methanol

Synonyms

2-Ethylnitrobenzene|612-22-6|1-Ethyl-2-nitrobenzene|o-Ethylnitrobenzene|Ethylnitrobenzene|Benzene, 1-ethyl-2-nitro-|o-Nitroethylbenzene|2-Ethyl-1-nitrobenzene|30179-51-2|DZR8C3N7UE|NSC-5095|1-ethy1-2-nitro-benzene|CCRIS 3099|NSC5095|NSC 5095|EINECS 210-29

Storage

Room temperature

Shipped In

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Specifications

Sinónimos

2-Ethylnitrobenzene | 612-22-6 | 1-Ethyl-2-nitrobenzene | o-Ethylnitrobenzene | Ethylnitrobenzene | Benzene, 1-ethyl-2-nitro- | o-Nitroethylbenzene | 2-Ethyl-1-nitrobenzene | 30179-51-2 | DZR8C3N7UE | NSC-5095 | 1-ethy1-2-nitro-benzene | CCRIS 3099 | NSC5095 | NSC 5095 | EINECS 210-29

Especificaciones y pureza

analytical standard, 1000ug/ml in methanol

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

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Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: CCC1=CC=CC=C1[N+](=O)[O-]
• IUPAC Name: 1-ethyl-2-nitrobenzene
• InChIKey: PXWYZLWEKCMTEZ-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3
• Isómeros SMILES: CCC1=CC=CC=C1[N+](=O)[O-]
• WGK Alemania: 3
• Peso molecular: 151.16
• Beilstein: 1865655
• Reaxy-Rn: 1865655
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1865655&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - 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 nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Índice de refracción: 1.5354
• Punto de inflamación (°F): 228.2 °F
• Punto de inflamación (°C): 109°C
• Punto de ebullición (°C): 172-174 °C/18 mmHg
• Punto de fusión (°C): -13--10°C
• Peso molecular: 151.160 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 151.063 Da
• Monoisotopic Mass: 151.063 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 142.000
• 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

Referencias

1. Tongfei Gao, Zhuangzhuang Dong, Jianhua Xiong, Hongxia Hao, Xiantao Shen, Wenge Tang, Zhen Tong, Chuixiu Huang.  (2026)  Liquid-Phase Microextraction Assisted Surface-Enhanced Raman Spectroscopy: On-site Quantification of Amphetamine-Type Stimulants in Complex Samples from Crime Scenes.  ANALYTICA CHIMICA ACTA,      [PMID:] [10.1016/j.aca.2026.345427]