Phenyl dichlorophosphate - ≥98% , CAS No.770-12-7

CAS: 770-12-7 Cat. No.: P104277 Fórmula: C₆H₅OP(O)Cl₂ Peso molecular: 210.98 Beilstein Registry Number: 511863 Número CE: 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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504752419

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752419

Sorrisos canónicos

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

SMILES isoméricas

C1=CC=C(C=C1)OP(=O)(Cl)Cl

WGK Alemanha

3

RTECS

TD4393000

Número UN

3265

Grupo de embalagem

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
    • Classe Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Immiscible with water.
• Sensibilidade: Moisture Sensitive
• Índice de refração: 1.523
• Ponto de inflamação (°F): 235.4 °F
• Ponto de inflamação (°C): 113 °C
• Ponto de ebulição (°C): 241-243°C
• Ponto de fusão (°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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 770-12-7, the molecular formula is C6H5Cl2O2P, and the molecular weight is 210.98 g/mol. InChIKey TXFOLHZMICYNRM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.