2,3-Dimethylanisole - ≥98%(GC) , CAS No.2944-49-2

CAS: 2944-49-2 Cat. No.: D123572 Peso molecular: 136.19 Beilstein Registry Number: 1859736 Número EC: 220-948-0

GRADE & PURITY ≥98%(GC)

Synonyms

CK1192 | FT-0609705 | Benzene, 1-methoxy-2,3-dimethyl- | 1-Methoxy-2,3-dimethylbenzene;1,2-Dimethyl-6-methoxybenzene | 2,3-Dimethylanisole | 2,3-dimethyl-anisole | Tribehenoyl glycerol | UNII-1O9C26L62B | 2,3-Dimethylanisole, 97% | Alphamethadolum | SY048

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

CK1192 | FT-0609705 | Benzene, 1-methoxy-2, 3-dimethyl- | 1-Methoxy-2, 3-dimethylbenzene;1, 2-Dimethyl-6-methoxybenzene | 2, 3-Dimethylanisole | 2, 3-dimethyl-anisole | Tribehenoyl glycerol | UNII-1O9C26L62B | 2, 3-Dimethylanisole, 97% | Alphamethadolum | SY048

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488185238
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185238
• Sonrisas canónicas: CC1=C(C(=CC=C1)OC)C
• IUPAC Name: 1-methoxy-2,3-dimethylbenzene
• InChIKey: BLMBNEVGYRXFNA-UHFFFAOYSA-N
• INCHI: 1S/C9H12O/c1-7-5-4-6-9(10-3)8(7)2/h4-6H,1-3H3
• Isómeros SMILES: CC1=C(C(=CC=C1)OC)C
• WGK Alemania: 3
• Peso molecular: 136.19
• Beilstein: 1859736
• Reaxy-Rn: 1859736
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859736&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: o-Xylenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - O-xylene - Xylene - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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: Air Sensitive
• Índice de refracción: 1.52
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): 67°(152°F)
• Punto de ebullición (°C): 195°C
• Punto de fusión (°C): 29°C
• Peso molecular: 136.190 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.089 Da
• Monoisotopic Mass: 136.089 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 101.000
• 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

Referencias

1. Hualong Zhang, Wen Xu, Zhigang Wu, Chao Liu, Chunyan Hong.  (2021)  A versatile ring-closure method for efficient synthesis of cyclic polymer and tadpole-shaped copolymer.  POLYMER,      [PMID:] [10.1016/j.polymer.2021.124314]