trans-2-Hydroxy-β-nitrostyrene - ≥97% , CAS No.3156-43-2

CAS: 3156-43-2 Cat. No.: T347234 Fórmula: HOC₆H₄CH=CHNO₂ Peso molecular: 165.15 Número EC: 626-798-6 PubChem CID: 5824057

GRADE & PURITY ≥97%

Synonyms

trans-2-Hydroxy- beta -nitrostyrene | (E)-2-(2-nitrovinyl)phenol | 2-[(E)-2-nitrovinyl]phenol | 2-[(E)-2-Nitroethenyl]phenol | 2'-hydroxy-beta-nitrostyrene | Q27464300 | SCHEMBL6872640 | (e)-(2-nitrovinyl)phenol | 2-(2-Hydroxyphenyl)nitroethene | 2-(2-nit

Storage

Room temperature

Shipped In

Normal

Descripción general

trans-2-Hydroxy-β-nitrostyrene is a reactant for Michael-acetalization reactions, organocatalytic stereoselective Baylis-Hillman-type reactions with Hagemann′s esters and catalyst-free aqueous-mediated conjugate addition reactions.

Specifications

Sinónimos

trans-2-Hydroxy- beta -nitrostyrene | (E)-2-(2-nitrovinyl)phenol | 2-[(E)-2-nitrovinyl]phenol | 2-[(E)-2-Nitroethenyl]phenol | 2'-hydroxy-beta-nitrostyrene | Q27464300 | SCHEMBL6872640 | (e)-(2-nitrovinyl)phenol | 2-(2-Hydroxyphenyl)nitroethene | 2-(2-nit

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488195634

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195634

Sonrisas canónicas

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

IUPAC Name

2-[(E)-2-nitroethenyl]phenol

InChIKey

PMDYAIGGZBRBFX-AATRIKPKSA-N

INCHI

1S/C8H7NO3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H/b6-5+

Isómeros SMILES

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

WGK Alemania

2

PubChem CID

5824057

Número ONU

3077

Grupo de embalaje

III

Peso molecular

165.15

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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

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A498 (42825 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 132-136° C
• Peso molecular: 165.150 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 165.043 Da
• Monoisotopic Mass: 165.043 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 185.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1