4-Cloro-3-metossibenzaldeide - ≥98% , CAS No.13726-16-4

CAS: 13726-16-4 Cat. No.: C190733 Formula: C₈H₇ClO₂ Peso molecolare: 170.59 Numero EC: 871-502-2

GRADE & PURITY ≥98%

Synonyms

FT-0681747 | EN300-120669 | AM84215 | MFCD07787490 | SY021859 | GS-3931 | 4-chloro-3-methoxybenzaldehyde | 4-chloro-3-methoxy-benzaldehyde | 4-Chloro-3-(methyloxy)benzaldehyde | 4-Chloro-3-methyoxybenzaldehyde | 4-chloro-3-methoxy benzaldehyde | AKOS00525

Storage

Conservare a 2-8°C, con carica di argon

Shipped In

Ghiaccio umido

Specifications

Sinonimi

FT-0681747 | EN300-120669 | AM84215 | MFCD07787490 | SY021859 | GS-3931 | 4-chloro-3-methoxybenzaldehyde | 4-chloro-3-methoxy-benzaldehyde | 4-Chloro-3-(methyloxy)benzaldehyde | 4-Chloro-3-methyoxybenzaldehyde | 4-chloro-3-methoxy benzaldehyde | AKOS00525

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Conservare a 2-8°C, con carica di argon

Spedito in

Ghiaccio umido

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504767269
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767269
• Sorrisi canonici: COC1=C(C=CC(=C1)C=O)Cl
• IUPAC Name: 4-chloro-3-methoxybenzaldehyde
• InChIKey: BZCOHGUBYSDFET-UHFFFAOYSA-N
• INCHI: 1S/C8H7ClO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-5H,1H3
• Isomeri SMILES: COC1=C(C=CC(=C1)C=O)Cl
• Peso molecolare: 170.59
• Reaxy-Rn: 2046062
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046062&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Benzaldehyde - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl-aldehyde - Aryl halide - Aryl chloride - Ether - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 170.590 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.013 Da
• Monoisotopic Mass: 170.013 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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