10-Chloro-9-anthraldehyde - ≥97% , CAS No.10527-16-9

CAS: 10527-16-9 Cat. No.: C165664 Formule: C₁₅H₉ClO Poids moléculaire: 240.68 Numéro CE: 234-086-8

GRADE & PURITY ≥97%

Synonyms

10-Chloro-9-anthracenecarbaldehyde | DTXCID3028473 | SCHEMBL1616239 | AKOS003617823 | CAS-10527-16-9 | EN300-18414 | UNII-7RQ1N54G12 | BS-49363 | 10-Chloro-9-anthracenecarbaldehyde # | QOV2JZ647A | Revaprazan Hydrochloride [USAN] | Z57902299 | 10 -chloroa

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

10-Chloro-9-anthracenecarbaldehyde | DTXCID3028473 | SCHEMBL1616239 | AKOS003617823 | CAS-10527-16-9 | EN300-18414 | UNII-7RQ1N54G12 | BS-49363 | 10-Chloro-9-anthracenecarbaldehyde # | QOV2JZ647A | Revaprazan Hydrochloride [USAN] | Z57902299 | 10 -chloroa

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Cl)C=O
• IUPAC Name: 10-chloroanthracene-9-carbaldehyde
• InChIKey: SHYBXXMECBHHFH-UHFFFAOYSA-N
• INCHI: 1S/C15H9ClO/c16-15-12-7-3-1-5-10(12)14(9-17)11-6-2-4-8-13(11)15/h1-9H
• Isomères SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Cl)C=O
• WGK Allemagne: 3
• Poids moléculaire: 240.68
• Reaxy-Rn: 1961698
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1961698&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Anthracenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Anthracenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthracenes
• Alternative Parents: Chloronaphthalenes Aryl-aldehydes Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthracene - Chloronaphthalene - Aryl-aldehyde - Aryl halide - Aryl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Aldehyde - Aromatic homopolycyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 240.680 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 240.034 Da
• Monoisotopic Mass: 240.034 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 267.000
• 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