(1R)-1-(3-nitrophenyl)ethanol - ≥97% , CAS No.76116-24-0

CAS: 76116-24-0 Cat. No.: E634502 Fórmula: C₈H₉NO₃ Peso molecular: 167.16

GRAU & PUREZA ≥97%

Synonyms

(R)-1-(3-nitrophenyl)ethanol | (1R)-1-(3-nitrophenyl)ethanol | (1R)-1-(3-nitrophenyl)ethan-1-ol | (R)-(1-(3-nitrophenyl))ethanol | (R)-1-(3-nitrophenyl)ethan-1-ol

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificações

Sinónimos

(R)-1-(3-nitrophenyl)ethanol | (1R)-1-(3-nitrophenyl)ethanol | (1R)-1-(3-nitrophenyl)ethan-1-ol | (R)-(1-(3-nitrophenyl))ethanol | (R)-1-(3-nitrophenyl)ethan-1-ol

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

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

Pureza

≥97%

Product Line

E634502-1g

Nomes e identificadores

Sorrisos canónicos

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

IUPAC Name

(1R)-1-(3-nitrophenyl)ethanol

InChIKey

FRPQAVXDUWMFCK-ZCFIWIBFSA-N

INCHI

1S/C8H9NO3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-6,10H,1H3/t6-/m1/s1

SMILES isoméricas

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])O

Peso molecular

167.16

Reaxy-Rn

1947378

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1947378&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 Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - C-nitro compound - Secondary alcohol - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alcohol - Organic salt - Organic zwitterion - Aromatic alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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

• Peso molecular: 167.160 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 167.058 Da
• Monoisotopic Mass: 167.058 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 166.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% 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 76116-24-0, the molecular formula is C8H9NO3, and the molecular weight is 167.16 g/mol. InChIKey FRPQAVXDUWMFCK-ZCFIWIBFSA-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.