Fenil diclorofosfato - ≥98% , CAS No.770-12-7

CAS: 770-12-7 Cat. No.: P104277 Peso molecular: 210.98 Beilstein Registry Number: 511863 Número EC: 212-220-6

GRADE & PURITY ≥98%

Synonyms

DTXSID6044987 | A838943 | InChI=1/C6H5Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H | Phenyl phosphodichloridate | EN300-78927 | NSC 44412 | AE85WW9S5Z | Q10281104 | P0209 | Phenylphosphoric Acid Dichloride | dichlorophosphoryloxybenzene | Phenyl phosphorodichl

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXSID6044987 | A838943 | InChI=1/C6H5Cl2O2P/c7-11(8, 9)10-6-4-2-1-3-5-6/h1-5H | Phenyl phosphodichloridate | EN300-78927 | NSC 44412 | AE85WW9S5Z | Q10281104 | P0209 | Phenylphosphoric Acid Dichloride | dichlorophosphoryloxybenzene | Phenyl phosphorodichl

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752419
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752419
• Sonrisas canónicas: C1=CC=C(C=C1)OP(=O)(Cl)Cl
• IUPAC Name: dichlorophosphoryloxybenzene
• InChIKey: TXFOLHZMICYNRM-UHFFFAOYSA-N
• INCHI: 1S/C6H5Cl2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H
• Isómeros SMILES: C1=CC=C(C=C1)OP(=O)(Cl)Cl
• WGK Alemania: 3
• RTECS: TD4393000
• Número ONU: 3265
• Grupo de embalaje: I
• Peso molecular: 210.98
• Beilstein: 511863
• Reaxy-Rn: 511863
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=511863&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: Phosphate esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phosphoric acid ester - Organic phosphoric acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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: Immiscible with water.
• Sensibilidad: Moisture Sensitive
• Índice de refracción: 1.523
• Punto de inflamación (°F): 235.4 °F
• Punto de inflamación (°C): 113 °C
• Punto de ebullición (°C): 241-243°C
• Punto de fusión (°C): -1°C
• Peso molecular: 210.980 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 209.94 Da
• Monoisotopic Mass: 209.94 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 162.000
• 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

Referencias

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