5-Chloro-2,3-dimethoxybenzaldehyde - ≥95% , CAS No.86232-28-2

CAS: 86232-28-2 Cat. No.: C354567 Formula: C₉H₉ClO₃ Peso molecolare: 200.62 Numero EC: 624-849-7

GRADE & PURITY ≥95%

Synonyms

dimethoxy-5-chlorobenzaldehyde | Z1203159531 | AS-37233 | 5-Chloro-2,3-dimethoxybenzaldehyde | 5-Chloro-2,3-dimethoxy-benzaldehyde | SCHEMBL1748175 | SY079691 | 5-Chloro-2,3-dimethoxybenzaldehyde, 97% | Benzaldehyde, 5-chloro-2,3-dimethoxy- | MFCD01743107

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

dimethoxy-5-chlorobenzaldehyde | Z1203159531 | AS-37233 | 5-Chloro-2,3-dimethoxybenzaldehyde | 5-Chloro-2,3-dimethoxy-benzaldehyde | SCHEMBL1748175 | SY079691 | 5-Chloro-2,3-dimethoxybenzaldehyde, 97% | Benzaldehyde, 5-chloro-2,3-dimethoxy- | MFCD01743107

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 488194729
• Sorrisi canonici: COC1=CC(=CC(=C1OC)C=O)Cl
• IUPAC Name: 5-chloro-2,3-dimethoxybenzaldehyde
• InChIKey: FIRVUYUWCDJOMJ-UHFFFAOYSA-N
• INCHI: 1S/C9H9ClO3/c1-12-8-4-7(10)3-6(5-11)9(8)13-2/h3-5H,1-2H3
• Isomeri SMILES: COC1=CC(=CC(=C1OC)C=O)Cl
• Peso molecolare: 200.62
• Reaxy-Rn: 2577634
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2577634&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzaldehyde - Phenol ether - Benzoyl - Alkyl aryl ether - Aryl-aldehyde - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aldehyde - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

• Punto di fusione (°C): 96-100° C (lit.)
• Peso molecolare: 200.620 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.024 Da
• Monoisotopic Mass: 200.024 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 174.000
• 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