3-(9-Anthryl)acrolein - ≥98%(HPLC) , CAS No.38982-12-6

CAS: 38982-12-6 Cat. No.: A151140 Summenformel: C₁₇H₁₂O Molekulargewicht: 232.28 EG-Nummer: 254-235-0

GRADE & PURITY ≥98%(HPLC)

Synonyms

3-(9-anthryl) acrolein | (E)-3-(anthracen-9-yl)acrylaldehyde | D74699 | 3-(9-Anthryl)acrylaldehyde | 2-Propenal, 3-(9-anthracenyl)- | A824361 | SCHEMBL1308315 | 3-(9-Anthryl)acrolein | AS-58808 | AKOS025311054 | EINECS 254-235-0 | BB8M9CV99E | MFCD0975122

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

3-(9-anthryl) acrolein | (E)-3-(anthracen-9-yl)acrylaldehyde | D74699 | 3-(9-Anthryl)acrylaldehyde | 2-Propenal, 3-(9-anthracenyl)- | A824361 | SCHEMBL1308315 | 3-(9-Anthryl)acrolein | AS-58808 | AKOS025311054 | EINECS 254-235-0 | BB8M9CV99E | MFCD0975122

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

Pubchem Sid

504764096

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764096

Kanonisches Lächeln

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=CC=O

IUPAC Name

(E)-3-anthracen-9-ylprop-2-enal

InChIKey

NLHDGEXLFCDTHQ-BJMVGYQFSA-N

INCHI

1S/C17H12O/c18-11-5-10-17-15-8-3-1-6-13(15)12-14-7-2-4-9-16(14)17/h1-12H/b10-5+

Isomere SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=C/C=O

Molekulargewicht

232.28

Reaxy-Rn

2260898

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2260898&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Cinnamaldehydes Styrenes Enals Organic oxides Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Cinnamaldehyde - Styrene - Enal - Alpha,beta-unsaturated aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anthracenes. These are organic compounds containing a system of three linearly fused benzene rings.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Chloroform
• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 170-174℃
• Molekulargewicht: 232.280 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 232.089 Da
• Monoisotopic Mass: 232.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 298.000
• 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