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

CAS: 612-22-6 Cat. No.: N117377 Fórmula: C₈H₉NO₂ Peso molecular: 151.16 Beilstein Registry Number: 1865655 Número CE: 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

FedEx DG Service

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

Especificações e pureza

analytical standard, 1000ug/ml in methanol

Condições de armazenamento de armazenamento

Room temperature

Enviado em

FedEx DG Service

Grau

Analytical standard

Nomes e identificadores

• Sorrisos canónicos: 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
• SMILES isoméricas: CCC1=CC=CC=C1[N+](=O)[O-]
• WGK Alemanha: 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
    • Classe Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: 1.5354
• Ponto de inflamação (°F): 228.2 °F
• Ponto de inflamação (°C): 109°C
• Ponto de ebulição (°C): 172-174 °C/18 mmHg
• Ponto de fusão (°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

Referências

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:41997682] [10.1016/j.aca.2026.345427]

Perguntas frequentes

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 612-22-6, the molecular formula is C8H9NO2, and the molecular weight is 151.16 g/mol. InChIKey PXWYZLWEKCMTEZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.