1-Acétylpyrène - ≥97% , CAS No.3264-21-9

CAS: 3264-21-9 Cat. No.: A169581 Formule: C₁₈H₁₂O Poids moléculaire: 244.29 Numéro CE: 690-123-1

GRADE & PURITY ≥97%

Synonyms

AMY18567 | J-018807 | 1-(1-Pyrenyl)ethanone # | LCZC1247 | ?1-ACETYLPYRENE | 1-Acetylpyrene, 97% | A821350 | DTXSID10186324 | E71338 | 1-(Pyren-1-yl)ethanone | FT-0607295 | KCIJNJVCFPSUBQ-UHFFFAOYSA-N | 2(1H)-Quinazolinone, 3,4-dihydro-3-(4-piperidinyl)-

Storage

Température ambiante

Shipped In

Normal

Vue d’ensemble

le 1-Acétylpyrène peut être utilisé dans une étude comparative sur l'efficacité photo-initiatrice du pyrène, du 1-acétylpyrène et du 1-(bromoacétyl)pyrène pour la copolymérisation du styrène avec l'acrylonitrile : - Comme matière première dans la synthèse de l'éthynlypyrène. le 1-(1-chlorovinyl)pyrène a également été isolé au cours de cette réaction. - Comme matière première dans la synthèse de dérivés substitués du pyrène incorporant des hétérocycles et des sucres. - Synthèse d'esters d'oxime de (E)-pyrène conjugués à des acides carboxyliques. - Synthèse d'alcools tertiaires à base de 1-acétylpyrène. - Synthèse de (E)-N-[1-(pyren-1-yl)éthylidène]chrysène-2-amine. - Synthèse de la 3,3-di(méthylsulfanyl)-1-(1-pyrényl)-2-propène-1-one.

Specifications

Synonymes

AMY18567 | J-018807 | 1-(1-Pyrenyl)ethanone # | LCZC1247 | ?1-ACETYLPYRENE | 1-Acetylpyrene, 97% | A821350 | DTXSID10186324 | E71338 | 1-(Pyren-1-yl)ethanone | FT-0607295 | KCIJNJVCFPSUBQ-UHFFFAOYSA-N | 2(1H)-Quinazolinone, 3,4-dihydro-3-(4-piperidinyl)-

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Température ambiante

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

Pubchem Sid

504756309

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756309

Sourires canoniques

CC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

IUPAC Name

1-pyren-1-ylethanone

InChIKey

KCIJNJVCFPSUBQ-UHFFFAOYSA-N

INCHI

1S/C18H12O/c1-11(19)15-9-7-14-6-5-12-3-2-4-13-8-10-16(15)18(14)17(12)13/h2-10H,1H3

Isomères SMILES

CC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

WGK Allemagne

3

Poids moléculaire

244.29

Reaxy-Rn

1878249

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1878249&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Pyrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Pyrenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrenes
• Alternative Parents: Phenanthrenes and derivatives Naphthalenes Acetophenones Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Pyrene - Phenanthrene - Naphthalene - Acetophenone - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
• 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

Propriétés chimiques et physiques

• Poids moléculaire: 244.300 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 244.089 Da
• Monoisotopic Mass: 244.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 374.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Foire aux questions

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 3264-21-9, the molecular formula is C18H12O, and the molecular weight is 244.29 g/mol. InChIKey KCIJNJVCFPSUBQ-UHFFFAOYSA-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.