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

CAS: 7693-45-0 Cat. No.: C139256 Summenformel: ClCO₂C₆H₄Cl Molekulargewicht: 191.01 EG-Nummer: 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

Übersicht

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

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508809510
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC(=CC=C1OC(=O)Cl)Cl
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: It is soluble in organic solvents.
• Empfindlichkeit: Moisture Sensitive,Heat Sensitive
• Brechungsindex: 1.53
• Flammpunkt (°F): 217.4 °F
• Flammpunkt (°C): 103 °C
• Siedepunkt (°C): 102 °C/12 mmHg
• Molekulargewicht: 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