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

Sinonimi

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid	488195634
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488195634
Sorrisi canonici	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+
Isomeri SMILES	C1=CC=C(C(=C1)/C=C/[N+](=O)[O-])O
WGK Germania	2
PubChem CID	5824057
Numero UN	3077
Gruppo di imballaggio	III
Peso molecolare	165.15

Documentazione

📋 Safety Data Sheet (SDS)

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✅ Certificate of Analysis (COA)

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🔬 Specification Sheet

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Benzene and substituted derivatives
    - Subclass Styrenes

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	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
Descrizione	This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
External Descriptors	Not available
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

Struttura 3D

Obiettivi associati (umani)

A498 (42825 Activities)

Lot Number	Certificate Type	Data	Oggetto
B2528645	Certificate of Analysis	Jan 11, 2023	T347234
C23311444	Certificate of Analysis	Jan 11, 2023	T347234
C23311445	Certificate of Analysis	Jan 11, 2023	T347234
C23311446	Certificate of Analysis	Jan 11, 2023	T347234
C23311447	Certificate of Analysis	Jan 11, 2023	T347234

Punto di fusione (°C)	132-136° C
Peso molecolare	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 Å²
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

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

Why this grade

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Literature proof

Panoramica

Specifications

Documentazione

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

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