(3-Fluoro-2-Methylphenyl)Methanol - ≥98% , CAS No.500912-13-0

CAS: 500912-13-0 Cat. No.: M701048 Summenformel: C₈H₉FO Molekulargewicht: 140.16 EG-Nummer: 989-825-3 PubChem CID: 2779242

QUALITÄT & REINHEIT ≥98%

Synonyms

3-Fluoro-2-methylbenzyl alcohol

Storage

Store at 2-8°C

Shipped In

Wet ice

Spezifikationen

Synonyme

3-Fluoro-2-methylbenzyl alcohol

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

CC1=C(C=CC=C1F)CO

IUPAC Name

(3-fluoro-2-methylphenyl)methanol

InChIKey

GZMJGSWNFDZTNZ-UHFFFAOYSA-N

INCHI

1S/C8H9FO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5H2,1H3

Isomere SMILES

CC1=C(C=CC=C1F)CO

PubChem CID

2779242

Molekulargewicht

140.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzyl alcohols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyl alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl alcohols
• Alternative Parents: Toluenes Fluorobenzenes Aryl fluorides Primary alcohols Organofluorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl alcohol - Toluene - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 140.150 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.064 Da
• Monoisotopic Mass: 140.064 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 105.000
• 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