tert-Butyldichlorophosphine solution - 1.0 M in diethyl ether , CAS No.25979-07-1

CAS: 25979-07-1 Cat. No.: T432485 Molecular Weight: 158.99 EC Number: 247-386-9 PubChem CID: 117690

GRADE & PURITY 1.0 M in diethyl ether

Synonyms

tert-Butylphosphonous dichloride # | AKOS015910206 | FT-0638562 | Phosphonous dichloride, P-(1,1-dimethylethyl)- | tert-Butyldichlorophosphine | tert-Butyldichlorophosphine, 98% | J-016202 | EINECS 247-386-9 | DTXSID00180639 | Phosphonous dichloride, (1,1

Storage

Room temperature

Overview

Application

Reactant for: The preparation of Buchwald-type secondary phosphine oxide ligands Asymmetric hydrogenation Reactant for the synthesis of: Alkali metal complexes P-Stereogenic compounds via kinetic deprotonation Ortho-trifluoromethylphenyl-substituted phosphines

Specifications

Synonyms

tert-Butylphosphonous dichloride # | AKOS015910206 | FT-0638562 | Phosphonous dichloride, P-(1, 1-dimethylethyl)- | tert-Butyldichlorophosphine | tert-Butyldichlorophosphine, 98% | J-016202 | EINECS 247-386-9 | DTXSID00180639 | Phosphonous dichloride, (1, 1

Specifications & Purity

1.0 M in diethyl ether

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CC(C)(C)P(Cl)Cl
• IUPAC Name: tert-butyl(dichloro)phosphane
• InChIKey: NMJASRUOIRRDSX-UHFFFAOYSA-N
• INCHI: 1S/C4H9Cl2P/c1-4(2,3)7(5)6/h1-3H3
• Isomeric SMILES: CC(C)(C)P(Cl)Cl
• PubChem CID: 117690
• Molecular Weight: 158.99

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Alkylhalophosphines

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Alkylhalophosphines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylhalophosphines
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylhalophosphine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alkylhalophosphines. These are organophosphorus compounds with the general formula RPX2 or R2PX (R=alkyl, X=halogen).
• 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

• Melt Point(°C): 44-49°C
• Molecular Weight: 158.990 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 157.982 Da
• Monoisotopic Mass: 157.982 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 55.200
• 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