(3,4-Dimethoxyphenyl)acetyl chloride - ≥97% , CAS No.10313-60-7

CAS: 10313-60-7 Cat. No.: D337881 Peso molecular: 214.65 Número EC: 628-972-7

GRADE & PURITY ≥97%

Synonyms

Benzeneacetyl chloride,3,4-dimethoxy- | 3,4-dimethoxyphenylacetic acid chloride | 3,4-Dimethoxy-phenylacetic acid chloride | 3,4-Dimethoxyphenyl-acetic acid chloride | 3.4-dimethoxy-phenylacetic acid chloride | 2-(3,4-dimethoxyphenyl)acetyl Chloride | 2-(

Storage

Room temperature

Shipped In

Normal

Descripción general

(3,4-Dimethoxyphenyl)acetyl chloride (Homoveratryl chloride) has been used in the preparation of: homo veratryl nitrile (HVN)

Specifications

Sinónimos

Benzeneacetyl chloride, 3, 4-dimethoxy- | 3, 4-dimethoxyphenylacetic acid chloride | 3, 4-Dimethoxy-phenylacetic acid chloride | 3, 4-Dimethoxyphenyl-acetic acid chloride | 3.4-dimethoxy-phenylacetic acid chloride | 2-(3, 4-dimethoxyphenyl)acetyl Chloride | 2-(

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=C(C=C1)CC(=O)Cl)OC
• IUPAC Name: 2-(3,4-dimethoxyphenyl)acetyl chloride
• InChIKey: QBJIMTPENIGDOG-UHFFFAOYSA-N
• INCHI: 1S/C10H11ClO3/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3
• Isómeros SMILES: COC1=C(C=C(C=C1)CC(=O)Cl)OC
• WGK Alemania: 3
• Número ONU: 3261
• Grupo de embalaje: II
• Peso molecular: 214.65
• Reaxy-Rn: 396343
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=396343&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Alkyl aryl ethers Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - Acyl chloride - Acyl halide - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Índice de refracción: n20/D 1.5489 (lit.)
• Punto de ebullición (°C): 118-119 °C/0.2 mmHg (lit.)
• Punto de fusión (°C): 40-43 °C (lit.)
• Peso molecular: 214.640 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 214.04 Da
• Monoisotopic Mass: 214.04 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 196.000
• 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