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

CAS: 3156-43-2 Cat. No.: T347234 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