2,4,6-Triméthylfluorobenzène - ≥98% , CAS No.392-69-8

CAS: 392-69-8 Cat. No.: M123667 Formule: C₉H₁₁F Poids moléculaire: 138.19 Numéro CE: 670-387-4

GRADE & PURITY ≥98%

Synonyms

2-Fluoro-1,3,5-triméthylbenzène | 2-fluoro-1,3,5-triméthyl-benzène | BBL102153 | 1-Fluoro-2,4,6-triméthylbenzène | 2-Fluoromésitylène | FT-0607772 | SCHEMBL662008 | Benzène, 2-fluoro-1,3,5-triméthyl- | DTXSID70192446 | AKOS006223924 | SY048440 | 2,4,6-TRI

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

Application：

le 2-Fluoromésitylène est une matière première importante et un produit intermédiaire utilisé dans la synthèse organique, les produits pharmaceutiques, l'agrochimie et les colorants

Specifications

Synonymes

2-Fluoro-1,3,5-triméthylbenzène | 2-fluoro-1,3,5-triméthyl-benzène | BBL102153 | 1-Fluoro-2,4,6-triméthylbenzène | 2-Fluoromésitylène | FT-0607772 | SCHEMBL662008 | Benzène, 2-fluoro-1,3,5-triméthyl- | DTXSID70192446 | AKOS006223924 | SY048440 | 2,4,6-TRI

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528755381

Sourires canoniques

CC1=CC(=C(C(=C1)C)F)C

IUPAC Name

2-fluoro-1,3,5-trimethylbenzene

InChIKey

ZLGPNBBJPOBSLY-UHFFFAOYSA-N

INCHI

1S/C9H11F/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3

Isomères SMILES

CC1=CC(=C(C(=C1)C)F)C

Poids moléculaire

138.19

Reaxy-Rn

1932561

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1932561&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organofluorides Hydrofluorocarbons Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Hydrofluorocarbon - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• 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

• Solubilité: Soluble in water
• Indice de réfraction: 1.4820 - 1.4850
• Point d'éclair (°C): 48 °C
• Point d'ébullition (°C): 165°C
• Poids moléculaire: 138.180 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 138.084 Da
• Monoisotopic Mass: 138.084 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.300
• 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