2-Nitrocinnamaldehyde - ≥98%, mixture of CIS and trans isomers, mainly trans , CAS No.1466-88-2

CAS: 1466-88-2 Cat. No.: N159725 Formule: C₉H₇NO₃ Poids moléculaire: 177.16 Beilstein Registry Number: 7(2)281 Numéro CE: 215-988-0

GRADE & PURITY ≥98%, mixture of CIS and trans isomers, mainly trans

Synonyms

(E)-3-(2-nitrophenyl)-2-propenal | 2-Propenal, 3-(2-nitrophenyl)-, (2E)- | (2E)-3-(2-nitrophenyl)prop-2-enal | EN300-17903 | Q4596908 | NSC 82356 | (E)-3-(2-nitrophenyl)prop-2-enal | 2-Propenal, 3-(2-nitrophenyl)-, (E)- | F13471 | (E)-3-(2-nitrophenyl)acr

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

(E)-3-(2-nitrophenyl)-2-propenal | 2-Propenal, 3-(2-nitrophenyl)-, (2E)- | (2E)-3-(2-nitrophenyl)prop-2-enal | EN300-17903 | Q4596908 | NSC 82356 | (E)-3-(2-nitrophenyl)prop-2-enal | 2-Propenal, 3-(2-nitrophenyl)-, (E)- | F13471 | (E)-3-(2-nitrophenyl)acr

Spécifications et pureté

≥98%, mixture of CIS and trans isomers, mainly trans

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504763759
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763759
• Sourires canoniques: C1=CC=C(C(=C1)C=CC=O)[N+](=O)[O-]
• IUPAC Name: (E)-3-(2-nitrophenyl)prop-2-enal
• InChIKey: VMSMELHEXDVEDE-HWKANZROSA-N
• INCHI: 1S/C9H7NO3/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-7H/b5-3+
• Isomères SMILES: C1=CC=C(C(=C1)/C=C/C=O)[N+](=O)[O-]
• Poids moléculaire: 177.16
• Beilstein: 7(2)281
• Reaxy-Rn: 908376
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=908376&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamaldehydes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamaldehydes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamaldehydes
• Alternative Parents: Nitrobenzenes Styrenes Nitroaromatic compounds Enals Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamaldehyde - Nitrobenzene - Nitroaromatic compound - Styrene - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated aldehyde - Enal - C-nitro compound - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Aldehyde - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
• 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

Cibles associées (humaines)

CDK4 Tclin Cyclin-dependent kinase 4/cyclin D1 (2340 Activities)

Discover Target: CDK4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in methanol. Insoluble in water.
• Sensibilité: Air Sensitive
• Point de fusion (°C): 128 °C
• Poids moléculaire: 177.160 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 177.043 Da
• Monoisotopic Mass: 177.043 Da
• Topological Polar Surface Area: 62.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 219.000
• 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

Foire aux questions

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 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1466-88-2, the molecular formula is C9H7NO3, and the molecular weight is 177.16 g/mol. InChIKey VMSMELHEXDVEDE-HWKANZROSA-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.