1-Chloro-3-(trifluoromethoxy)benzene - ≥98% , CAS No.772-49-6

CAS: 772-49-6 Cat. No.: C130120 Peso molecular: 196.55 Número EC: 680-208-1

GRADE & PURITY ≥98%

Synonyms

FT-0613910 | OLDJEKBXICPMAS-UHFFFAOYSA-N | 3-Trifluoromethoxy chlorobenzene | C2092 | 3-(TRIFLUOROMETHOXY)CHLOROBENZENE | DTXSID70380447 | MFCD00276971 | A839017 | 1-chloranyl-3-(trifluoromethyloxy)benzene | AKOS006227834 | 1-Chloro-3-(trifluoromethoxy)be

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product Application：
1-Chloro-3-(trifluoromethoxy)benzene is used as pharmaceutical intermediate.

Specifications

Sinónimos

FT-0613910 | OLDJEKBXICPMAS-UHFFFAOYSA-N | 3-Trifluoromethoxy chlorobenzene | C2092 | 3-(TRIFLUOROMETHOXY)CHLOROBENZENE | DTXSID70380447 | MFCD00276971 | A839017 | 1-chloranyl-3-(trifluoromethyloxy)benzene | AKOS006227834 | 1-Chloro-3-(trifluoromethoxy)be

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504761968
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761968
• Sonrisas canónicas: C1=CC(=CC(=C1)Cl)OC(F)(F)F
• IUPAC Name: 1-chloro-3-(trifluoromethoxy)benzene
• InChIKey: OLDJEKBXICPMAS-UHFFFAOYSA-N
• INCHI: 1S/C7H4ClF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
• Isómeros SMILES: C1=CC(=CC(=C1)Cl)OC(F)(F)F
• Peso molecular: 196.55
• Reaxy-Rn: 2555938
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2555938&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Chlorobenzenes Aryl chlorides Trihalomethanes Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Alkyl fluoride - Organochloride - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water.
• Índice de refracción: 1.436
• Punto de inflamación (°C): 42 °C
• Punto de ebullición (°C): 140°C
• Peso molecular: 196.550 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 195.99 Da
• Monoisotopic Mass: 195.99 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 148.000
• 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