4,4′,4′′-Trimethoxytrityl chloride - ≥97% , CAS No.49757-42-8

CAS: 49757-42-8 Cat. No.: T170596 Peso molecular: 368.85 Número EC: 256-474-6 PubChem CID: 630505

GRADE & PURITY ≥97%

Synonyms

1-(Chloro[bis(4-methoxyphenyl)]methyl)-4-methoxybenzene # | FT-0623707 | MFCD00008408 | C22H21ClO3 | 4,4',4''-Trimethoxytrityl chloride | 4,4',4'-Trimethoxytrityl chloride | Benzene, 1,1',1''-(chloromethylidyne)tris(4-methoxy- | 4,4',4''-(Chloromethanetri

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1-(Chloro[bis(4-methoxyphenyl)]methyl)-4-methoxybenzene # | FT-0623707 | MFCD00008408 | C22H21ClO3 | 4, 4', 4''-Trimethoxytrityl chloride | 4, 4', 4'-Trimethoxytrityl chloride | Benzene, 1, 1', 1''-(chloromethylidyne)tris(4-methoxy- | 4, 4', 4''-(Chloromethanetri

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)Cl
• IUPAC Name: 1-[chloro-bis(4-methoxyphenyl)methyl]-4-methoxybenzene
• InChIKey: OBFCMKPFILBCSQ-UHFFFAOYSA-N
• INCHI: 1S/C22H21ClO3/c1-24-19-10-4-16(5-11-19)22(23,17-6-12-20(25-2)13-7-17)18-8-14-21(26-3)15-9-18/h4-15H,1-3H3
• Isómeros SMILES: COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)Cl
• WGK Alemania: 3
• PubChem CID: 630505
• Peso molecular: 368.85

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 150℃
• Peso molecular: 368.900 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 368.118 Da
• Monoisotopic Mass: 368.118 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 346.000
• 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