2-Amino-4-trifluoromethyloxazole - ≥97% , CAS No.35629-71-1

CAS: 35629-71-1 Cat. No.: A183989 Peso molecular: 152.07 Número EC: 639-425-7

GRADE & PURITY ≥97%

Synonyms

2-Amino-4-trifluoromethyloxazole | J-513927 | DS-2971 | s10216 | FS-2031 | SY040628 | 2-amino-4-(trifluoromethyl)oxazole | EN300-97654 | 4-(trifluoromethyl)-1,3-oxazole-2-amine | 4-(trifluoromethyl)oxazol-2-amine | AKOS005255409 | MFCD07777221 | [4-(trifl

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-Amino-4-trifluoromethyloxazole | J-513927 | DS-2971 | s10216 | FS-2031 | SY040628 | 2-amino-4-(trifluoromethyl)oxazole | EN300-97654 | 4-(trifluoromethyl)-1, 3-oxazole-2-amine | 4-(trifluoromethyl)oxazol-2-amine | AKOS005255409 | MFCD07777221 | [4-(trifl

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=C(N=C(O1)N)C(F)(F)F
• IUPAC Name: 4-(trifluoromethyl)-1,3-oxazol-2-amine
• InChIKey: LUSFWEXIRSHBNN-UHFFFAOYSA-N
• INCHI: 1S/C4H3F3N2O/c5-4(6,7)2-1-10-3(8)9-2/h1H,(H2,8,9)
• Isómeros SMILES: C1=C(N=C(O1)N)C(F)(F)F
• Peso molecular: 152.07
• Reaxy-Rn: 1073378
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1073378&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Oxazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,4-disubstituted oxazoles
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-disubstituted 1,3-oxazole - Heteroaromatic compound - Azacycle - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2,4-disubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2 and 4 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.
• 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: 152.070 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 152.02 Da
• Monoisotopic Mass: 152.02 Da
• Topological Polar Surface Area: 52.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 126.000
• 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