2-(4-Nitrophenoxy)ethanol - ≥98% , CAS No.16365-27-8

CAS: 16365-27-8 Cat. No.: N346550 Fórmula: C₈H₉NO₄ Peso molecular: 183.16 Número EC: 240-422-4

CALIDAD & PUREZA ≥98%

Synonyms

B75AJA4DCJ | SCHEMBL56460 | Ethanol, 2-(p-nitrophenoxy)- | A882557 | NSC 30512 | p-nitrophenol hydroxyethyl ether | 2-(4-nitrophenoxy)ethan-1-ol | FT-0608915 | Oprea1_450408 | Ethanol, 2-(4-nitrophenoxy)- | AKOS000296372 | beta-Hydroxyethyl p-nitrophenyl

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

B75AJA4DCJ | SCHEMBL56460 | Ethanol, 2-(p-nitrophenoxy)- | A882557 | NSC 30512 | p-nitrophenol hydroxyethyl ether | 2-(4-nitrophenoxy)ethan-1-ol | FT-0608915 | Oprea1_450408 | Ethanol, 2-(4-nitrophenoxy)- | AKOS000296372 | beta-Hydroxyethyl p-nitrophenyl

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488186316

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186316

Sonrisas canónicas

C1=CC(=CC=C1[N+](=O)[O-])OCCO

IUPAC Name

2-(4-nitrophenoxy)ethanol

InChIKey

YAPAEYFBLRVUMH-UHFFFAOYSA-N

INCHI

1S/C8H9NO4/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2

Isómeros SMILES

C1=CC(=CC=C1[N+](=O)[O-])OCCO

Peso molecular

183.16

Reaxy-Rn

2210596

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210596&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: Nitrophenyl ethers
• Alternative Parents: Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenyl ether - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic zwitterion - Primary alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrophenyl ethers. These are aromatic compounds containing a nitrobenzene moiety that carries an ether group on the benzene ring.
• 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

• Peso molecular: 183.160 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 183.053 Da
• Monoisotopic Mass: 183.053 Da
• Topological Polar Surface Area: 75.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 160.000
• 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

Preguntas frecuentes

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 16365-27-8, the molecular formula is C8H9NO4, and the molecular weight is 183.16 g/mol. InChIKey YAPAEYFBLRVUMH-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.