3,4,5-Trimethoxybenzyl chloride - ≥97% , CAS No.3840-30-0

CAS: 3840-30-0 Cat. No.: T170057 Peso molecular: 216.66 Beilstein Registry Number: 911181 Número EC: 223-330-9 PubChem CID: 77448

GRADE & PURITY ≥97%

Synonyms

5-(Chloromethyl)-1,2,3-trimethoxybenzene | 3,4,5-Trimethoxybenzyl chloride, >=98.0% (AT) | NSC100940 | NSC-100940 | 3,4,5-trimethoxy benzyl chloride | 3,4,5-trimethoxy-alpha-chlorotoluene | 3,4,5 trimethoxybenzyl chloride | W-106487 | NSC 100940 | 3,4,5-t

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

5-(Chloromethyl)-1, 2, 3-trimethoxybenzene | 3, 4, 5-Trimethoxybenzyl chloride, >=98.0% (AT) | NSC100940 | NSC-100940 | 3, 4, 5-trimethoxy benzyl chloride | 3, 4, 5-trimethoxy-alpha-chlorotoluene | 3, 4, 5 trimethoxybenzyl chloride | W-106487 | NSC 100940 | 3, 4, 5-t

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504755178
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755178
• Sonrisas canónicas: COC1=CC(=CC(=C1OC)OC)CCl
• IUPAC Name: 5-(chloromethyl)-1,2,3-trimethoxybenzene
• InChIKey: XXRUQNNAKXZSOS-UHFFFAOYSA-N
• INCHI: 1S/C10H13ClO3/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-5H,6H2,1-3H3
• WGK Alemania: 3
• PubChem CID: 77448
• Peso molecular: 216.66
• Beilstein: 911181

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyl halides

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

• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 60-63 °C
• Peso molecular: 216.660 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 216.055 Da
• Monoisotopic Mass: 216.055 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 151.000
• 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