2-Nitro-4-(trifluoromethyl)phenol - ≥98% , CAS No.400-99-7

CAS: 400-99-7 Cat. No.: N122606 Peso molecular: 207.11 Beilstein Registry Number: 2215510 Número EC: 206-927-9

GRADE & PURITY ≥98%

Synonyms

p-Cresol, 2-nitro-.alpha.,.alpha.,.alpha.-trifluoro- | AM61954 | 2-Nitro-4-(trifluoromethyl)phenol, 99% | AKOS005063851 | A19875 | 4-06-00-02150 (Beilstein Handbook Reference) | 2-Nitro-.alpha.,.alpha.,.alpha.-trifluoro-p-cresol | 2-Nitro-alpha,alpha,alph

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

2-Nitro-4-(trifluoromethyl)phenol is the major product of solution phase photodecomposition of fluorodifen.

Application：

2-Nitro-4-(trifluoromethyl)phenol has been used in the synthesis of 2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propionic acid ethyl ester.

Specifications

Sinónimos

p-Cresol, 2-nitro-.alpha., .alpha., .alpha.-trifluoro- | AM61954 | 2-Nitro-4-(trifluoromethyl)phenol, 99% | AKOS005063851 | A19875 | 4-06-00-02150 (Beilstein Handbook Reference) | 2-Nitro-.alpha., .alpha., .alpha.-trifluoro-p-cresol | 2-Nitro-alpha, alpha, alph

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181032
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181032
• Sonrisas canónicas: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])O
• IUPAC Name: 2-nitro-4-(trifluoromethyl)phenol
• InChIKey: XZEDEVRSUANQEM-UHFFFAOYSA-N
• INCHI: 1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H
• Isómeros SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])O
• WGK Alemania: 3
• RTECS: GP2984950
• Peso molecular: 207.11
• Beilstein: 2215510
• Reaxy-Rn: 2215510
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2215510&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Nitrophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Nitrophenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrophenols
• Alternative Parents: Trifluoromethylbenzenes Nitrobenzenes Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrophenol - Trifluoromethylbenzene - Nitrobenzene - Nitroaromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - Organohalogen compound - Alkyl fluoride - Organic oxide - Alkyl halide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrophenols. These are compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms.
• 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

• Índice de refracción: 1.504
• Punto de inflamación (°F): 203 °F
• Punto de inflamación (°C): 95°C(Lit.)
• Punto de ebullición (°C): 94°C/12mmHg
• Peso molecular: 207.110 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 207.014 Da
• Monoisotopic Mass: 207.014 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 225.000
• 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