4,5-Dichloroveratrole - ≥97% , CAS No.2772-46-5

CAS: 2772-46-5 Cat. No.: D183383 Formule: C₈H₈Cl₂O₂ Poids moléculaire: 207.05

GRADE & PURITY ≥97%

Synonyms

SCHEMBL5572861 | 4,5-DICHLOROVERATROL | Benzene, 1,2-dichloro-4,5-dimethoxy- | Benzene,1,2-dichloro-4,5-dimethoxy- | 1,2-Dimethoxy-4,5-dichloro-benzene | RJYXLZQZBLGBOM-UHFFFAOYSA-N | CAA77246 | MFCD01108712 | 4,5-Dichloroveratrole | BS-22185 | 1,2-Dichlo

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

4,5-Dichloroveratrole is a chlorinated product formed by reaction of Veratryl alcoholwith chlorine dioxide solution.

Specifications

Synonymes

SCHEMBL5572861 | 4,5-DICHLOROVERATROL | Benzene, 1,2-dichloro-4,5-dimethoxy- | Benzene,1,2-dichloro-4,5-dimethoxy- | 1,2-Dimethoxy-4,5-dichloro-benzene | RJYXLZQZBLGBOM-UHFFFAOYSA-N | CAA77246 | MFCD01108712 | 4,5-Dichloroveratrole | BS-22185 | 1,2-Dichlo

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: COC1=CC(=C(C=C1OC)Cl)Cl
• IUPAC Name: 1,2-dichloro-4,5-dimethoxybenzene
• InChIKey: RJYXLZQZBLGBOM-UHFFFAOYSA-N
• INCHI: 1S/C8H8Cl2O2/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4H,1-2H3
• Isomères SMILES: COC1=CC(=C(C=C1OC)Cl)Cl
• Poids moléculaire: 207.05
• Reaxy-Rn: 2259126
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2259126&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 Dichlorobenzenes Anisoles Alkyl aryl ethers Aryl chlorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - 1,2-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Ether - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 207.050 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.99 Da
• Monoisotopic Mass: 205.99 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 127.000
• 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