4-Chlorophenyl chloroformate - ≥98% , CAS No.7693-45-0

CAS: 7693-45-0 Cat. No.: C139256 Fórmula: ClCO₂C₆H₄Cl Peso molecular: 191.01 Número EC: 626-526-6

GRADE & PURITY ≥98%

Synonyms

AKOS015891076 | 4-Chlorophenyl carbonochloridate | p-Chlorophenyl chloroformate | 4-Chlorophenyl carbonochloridate; 4-Chlorophenyl chloroformate | DTXSID60227716 | MFCD00000638 | C2545 | 4-Chlorophenyl chloridocarbonate | 4-CHLOROPHENYLCHLOROFORMATE | STR

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

It was used in the preparation of N-hydroxy-N-methylcarbamate 4-chlorophenyl ester.

Specifications

Sinónimos

AKOS015891076 | 4-Chlorophenyl carbonochloridate | p-Chlorophenyl chloroformate | 4-Chlorophenyl carbonochloridate; 4-Chlorophenyl chloroformate | DTXSID60227716 | MFCD00000638 | C2545 | 4-Chlorophenyl chloridocarbonate | 4-CHLOROPHENYLCHLOROFORMATE | STR

Especificaciones y pureza

≥98%

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

≥98%

Nombres e identificadores

• Pubchem Sid: 508809510
• Sonrisas canónicas: C1=CC(=CC=C1OC(=O)Cl)Cl
• IUPAC Name: (4-chlorophenyl) carbonochloridate
• InChIKey: RYWGPCLTVXMMHO-UHFFFAOYSA-N
• INCHI: 1S/C7H4Cl2O2/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4H
• Isómeros SMILES: C1=CC(=CC=C1OC(=O)Cl)Cl
• WGK Alemania: 3
• Peso molecular: 191.01
• Reaxy-Rn: 1867968
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1867968&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Chlorobenzenes Aryl chlorides Organic carbonic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Carbonic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy 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

• Solubilidad: It is soluble in organic solvents.
• Sensibilidad: Moisture Sensitive,Heat Sensitive
• Índice de refracción: 1.53
• Punto de inflamación (°F): 217.4 °F
• Punto de inflamación (°C): 103 °C
• Punto de ebullición (°C): 102 °C/12 mmHg
• Peso molecular: 191.010 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 189.959 Da
• Monoisotopic Mass: 189.959 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• 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