4-Methoxyphenyl chloroformate - ≥95% , CAS No.7693-41-6

CAS: 7693-41-6 Cat. No.: M472627 Peso molecular: 186.59 Número EC: 628-379-3

GRADE & PURITY ≥95%

Synonyms

4-methoxyphenylchloroformate | 4-methoxyphenylcarbonochloridate | 4-(methoxy)phenyl chloroformate | DTXSID8064771 | Carbonochloridic acid, 4-methoxyphenyl ester | Chloroformic acid 4-methoxyphenyl ester | 4-methoxyphenyl carbonochloridate | 4-Methoxypheny

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

4-methoxyphenylchloroformate | 4-methoxyphenylcarbonochloridate | 4-(methoxy)phenyl chloroformate | DTXSID8064771 | Carbonochloridic acid, 4-methoxyphenyl ester | Chloroformic acid 4-methoxyphenyl ester | 4-methoxyphenyl carbonochloridate | 4-Methoxypheny

Especificaciones y pureza

≥95%

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

≥95%

Nombres e identificadores

• Pubchem Sid: 488186054
• Sonrisas canónicas: COC1=CC=C(C=C1)OC(=O)Cl
• IUPAC Name: (4-methoxyphenyl) carbonochloridate
• InChIKey: CCFSGQKTSBIIHG-UHFFFAOYSA-N
• INCHI: 1S/C8H7ClO3/c1-11-6-2-4-7(5-3-6)12-8(9)10/h2-5H,1H3
• Isómeros SMILES: COC1=CC=C(C=C1)OC(=O)Cl
• WGK Alemania: 3
• Peso molecular: 186.59
• Reaxy-Rn: 2047299
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2047299&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Organic carbonic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Carbonic acid derivative - Ether - 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 anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

• Sensibilidad: Moisture sensitive.
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Peso molecular: 186.590 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 186.008 Da
• Monoisotopic Mass: 186.008 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 152.000
• 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