Phenylthiophosphonic Dichloride - ≥98%(GC) , CAS No.3497-00-5

CAS: 3497-00-5 Cat. No.: P160182 Molecular Weight: 211.04 EC Number: 222-494-9 PubChem CID: 19016

GRADE & PURITY ≥98%(GC)

Synonyms

benzenephosphonothioic dichloride | NSC62217 | NSC-62217 | Q1419323 | Phenylthiophosphonic Dichloride | UNII-NO4H2EXV6A | Phosphonodichloridothioic acid, phenyl- | Benzenephosphorus thiodichloride | DTXSID2063054 | UN 2799 | AI3-15061 | NSC 62217 | Phosph

Storage

Room temperature,Argon charged,Desiccated,Cool

Shipped In

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Specifications

Synonyms

benzenephosphonothioic dichloride | NSC62217 | NSC-62217 | Q1419323 | Phenylthiophosphonic Dichloride | UNII-NO4H2EXV6A | Phosphonodichloridothioic acid, phenyl- | Benzenephosphorus thiodichloride | DTXSID2063054 | UN 2799 | AI3-15061 | NSC 62217 | Phosph

Specifications & Purity

≥98%(GC)

Storage

Room temperature, Argon charged, Desiccated, Cool

Shipped In

FedEx DG Service

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

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)P(=S)(Cl)Cl
• IUPAC Name: dichloro-phenyl-sulfanylidene-λ5-phosphane
• InChIKey: SXIWNIQDOJKDGB-UHFFFAOYSA-N
• INCHI: 1S/C6H5Cl2PS/c7-9(8,10)6-4-2-1-3-5-6/h1-5H
• Isomeric SMILES: C1=CC=C(C=C1)P(=S)(Cl)Cl
• PubChem CID: 19016
• UN Number: 2799
• Packing Group: II
• Molecular Weight: 211.04
• Reaxy-Rn: 971247

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: Organothiophosphorus compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organothiophosphorus compound - 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Refractive Index: 1.62
• Flash Point(°C): 94℃
• Boil Point(°C): 270°C
• Molecular Weight: 211.050 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 209.923 Da
• Monoisotopic Mass: 209.923 Da
• Topological Polar Surface Area: 32.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 148.000
• 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