Phenylphosphonous dichloride - ≥98% , CAS No.644-97-3

CAS: 644-97-3 Cat. No.: P103165 Molecular Weight: 178.98 Beilstein Registry Number: 508189 EC Number: 211-425-8

GRADE & PURITY ≥98%

Synonyms

P,P-Dichlorophenylphosphine, 97% | SCHEMBL246946 | Tox21_303070 | 4-16-00-00972 (Beilstein Handbook Reference) | Phosphonous dichloride, P-phenyl- | Benzene phosphorus dichloride (DOT) | Benzenephosphonous dichloride | C6H5PCl2 | DTXCID307282 | EN300-1965

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonyms

P, P-Dichlorophenylphosphine, 97% | SCHEMBL246946 | Tox21_303070 | 4-16-00-00972 (Beilstein Handbook Reference) | Phosphonous dichloride, P-phenyl- | Benzene phosphorus dichloride (DOT) | Benzenephosphonous dichloride | C6H5PCl2 | DTXCID307282 | EN300-1965

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)P(Cl)Cl
• IUPAC Name: dichloro(phenyl)phosphane
• InChIKey: IMDXZWRLUZPMDH-UHFFFAOYSA-N
• INCHI: 1S/C6H5Cl2P/c7-9(8)6-4-2-1-3-5-6/h1-5H
• Isomeric SMILES: C1=CC=C(C=C1)P(Cl)Cl
• WGK Germany: 3
• RTECS: TB2478000
• UN Number: 2798
• Packing Group: II
• Molecular Weight: 178.98
• Beilstein: 508189
• Reaxy-Rn: 508189
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508189&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organopnictogen compounds Organophosphorus compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Reacts with water.
• Sensitivity: Moisture sensitive；air sensitive
• Refractive Index: 1.597
• Flash Point(°F): 235.4 °F
• Flash Point(°C): 113 °C
• Boil Point(°C): 59 °C/1 mmHg
• Melt Point(°C): -51°C
• Molecular Weight: 178.980 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 177.951 Da
• Monoisotopic Mass: 177.951 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 79.100
• 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

References

1. Yao Dai, Xiujuan Feng, Bin Wang, Ren He, Ming Bao.  (2011)  Preparation and application of air-stable P,N-bidentate ligands for the selective synthesis of δ-lactone via the palladium-catalyzed telomerization of 1,3-butadiene with carbon dioxide.  JOURNAL OF ORGANOMETALLIC CHEMISTRY,      [PMID:] [10.1016/j.jorganchem.2011.10.011]

2. Wenmin Mu, Chong Tian, Shijie Zhang, Tao Zhuang, Qing Yu, Liang Song, Guiqing Cheng, Zhongwei Wang, Yuxi Han.  (2024)  Diphenylphosphine oxide derivative with a symmetrical structure as an efficient flame retardant for application in epoxy resin.  JOURNAL OF APPLIED POLYMER SCIENCE,  142  (4): (e56399).  [PMID:] [10.1002/app.56399]

3. Yan Li, Chong Tian, Guiqing Cheng, Chunhui Li, Zhongwei Wang.  (2024)  Facile Synthesis of Bis-Diphenylphosphine Oxide as a Flame Retardant for Epoxy Resins.  Polymers,  16  (18): (2635).  [PMID:39339099] [10.3390/polym16182635]