4-Nitro-Phenethylamine - ≥98% , CAS No.24954-67-4

CAS: 24954-67-4 Cat. No.: N192298 Fórmula: C₈H₁₀N₂O₂ Peso molecular: 166.18

GRADE & PURITY ≥98%

Synonyms

SCHEMBL335044 | J-515879 | NoName_3084 | NSC299559 | NSC-299559 | AKOS000299194 | Benzeneethanamine, 4-nitro- | Oprea1_732028 | 2-(4-nitrophenyl)ethanamine | DS-16947 | SY056845 | 325O8467XK | EINECS 249-980-3 | p-NITROPHENETHYLAMINE | RPR-251526 | FT-070

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SCHEMBL335044 | J-515879 | NoName_3084 | NSC299559 | NSC-299559 | AKOS000299194 | Benzeneethanamine, 4-nitro- | Oprea1_732028 | 2-(4-nitrophenyl)ethanamine | DS-16947 | SY056845 | 325O8467XK | EINECS 249-980-3 | p-NITROPHENETHYLAMINE | RPR-251526 | FT-070

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 488186888
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186888
• Sorrisos canónicos: C1=CC(=CC=C1CCN)[N+](=O)[O-]
• IUPAC Name: 2-(4-nitrophenyl)ethanamine
• InChIKey: IOXOZOPLBFXYLM-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6,9H2
• SMILES isoméricas: C1=CC(=CC=C1CCN)[N+](=O)[O-]
• Peso molecular: 166.18
• Reaxy-Rn: 2208358
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208358&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: Phenethylamines Nitroaromatic compounds 2-arylethylamines Aralkylamines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Phenethylamine - Nitroaromatic compound - 2-arylethylamine - Aralkylamine - 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 - Primary amine - Organopnictogen compound - Organonitrogen compound - Amine - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: light sensitive
• Peso molecular: 166.180 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.074 Da
• Monoisotopic Mass: 166.074 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 148.000
• 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. Guozeng Wang, Zhihao Jiang, Qing Xiao, Chang Jiang, Xian'ai Shi.  (2022)  Visible spectrophotometric assay for characterization of ω-transaminases.  ANALYTICAL BIOCHEMISTRY,      [PMID:36208685] [10.1016/j.ab.2022.114933]

2. Kun Ge, Lunzhao Yi, Qiyue Wu, Yonghui Li, Hanqiang Zhang, Ying Gu.  (2021)  Detection of Formaldehyde by Surface-Enhanced Raman Spectroscopy Based on PbBiO2Br/Au4Ag4 Nanospheres.  ACS Applied Nano Materials,      [PMID:] [10.1021/acsanm.1c01710]

3. Caiqing Ma, Yu Liu, Jing Wang, Shiwei Wu, Qian Zhang, Peng Song, Lixin Xia.  (2018)  Regulate the coupling reaction of 4-nitrothiophenol to 4,4′-dimercaptoazobenzene by organic alkali.  JOURNAL OF RAMAN SPECTROSCOPY,  49  (8): (1395-1401).  [PMID:] [10.1002/jrs.5381]

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 24954-67-4, the molecular formula is C8H10N2O2, and the molecular weight is 166.18 g/mol. InChIKey IOXOZOPLBFXYLM-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.