2-(4-Amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol - ≥98% , CAS No.1992-09-2

CAS: 1992-09-2 Cat. No.: A191891 Peso molecular: 273.18 Número EC: 640-851-0

GRADE & PURITY ≥98%

Synonyms

Benzenemethanol,4-amino-3-methyl-a,a-bis(trifluoromethyl)- | C73778 | SCHEMBL7101194 | ZB0635 | AKOS022175017 | DS-7530 | AM807777 | MFCD00788428 | 2-(4-AMINO-3-METHYLPHENYL)HEXAFLUOROISOPROPANOL | Benzenemethanol, 2-amino-3-methyl-.alpha.,.alpha.-bis(tri

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Benzenemethanol, 4-amino-3-methyl-a, a-bis(trifluoromethyl)- | C73778 | SCHEMBL7101194 | ZB0635 | AKOS022175017 | DS-7530 | AM807777 | MFCD00788428 | 2-(4-AMINO-3-METHYLPHENYL)HEXAFLUOROISOPROPANOL | Benzenemethanol, 2-amino-3-methyl-.alpha., .alpha.-bis(tri

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)N
• IUPAC Name: 2-(4-amino-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
• InChIKey: BBKBZCHWYBHANQ-UHFFFAOYSA-N
• INCHI: 1S/C10H9F6NO/c1-5-4-6(2-3-7(5)17)8(18,9(11,12)13)10(14,15)16/h2-4,18H,17H2,1H3
• Isómeros SMILES: CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)N
• Peso molecular: 273.18
• Reaxy-Rn: 2812726
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2812726&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminotoluenes
• Alternative Parents: Aniline and substituted anilines Tertiary alcohols Fluorohydrins Primary amines Organofluorides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminotoluene - Aniline or substituted anilines - Tertiary alcohol - Fluorohydrin - Halohydrin - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino 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

• Peso molecular: 273.170 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 273.059 Da
• Monoisotopic Mass: 273.059 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 286.000
• 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