Bis(dimethylamino)phosphoryl Chloride - ≥93%(GC) , CAS No.1605-65-8

CAS: 1605-65-8 Cat. No.: B151889 Molecular Weight: 170.58 Beilstein Registry Number: 471430 EC Number: 216-517-1

GRADE & PURITY ≥93%(GC)

Synonyms

EINECS 216-517-1 | InChI=1/C4H12ClN2OP/c1-6(2)9(5,8)7(3)4/h1-4H | n,n,n',n'-tetramethyldiamidophosphorochloridate | Bromosalicylanilide | MFCD00008302 | EN300-112708 | N-(chloro-dimethylaminophosphoryl)-N-methylmethanamine | N,N,N',N'-Tetramethylphosphoro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

N,N,N′,N′-Tetramethylphosphorodiamidic chloride was used in the synthesis of (-)-allohedycaryol and C2-symmetric binaphthyl phosphortriamide. It was also used in total synthesis of neohedycaryol.

Specifications

Synonyms

EINECS 216-517-1 | InChI=1/C4H12ClN2OP/c1-6(2)9(5, 8)7(3)4/h1-4H | n, n, n', n'-tetramethyldiamidophosphorochloridate | Bromosalicylanilide | MFCD00008302 | EN300-112708 | N-(chloro-dimethylaminophosphoryl)-N-methylmethanamine | N, N, N', N'-Tetramethylphosphoro

Specifications & Purity

≥93%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥93%(GC)

Names and Identifiers

• Canonical Smiles: CN(C)P(=O)(N(C)C)Cl
• IUPAC Name: N-[chloro(dimethylamino)phosphoryl]-N-methylmethanamine
• InChIKey: WYLQARGYFXBZMD-UHFFFAOYSA-N
• INCHI: 1S/C4H12ClN2OP/c1-6(2)9(5,8)7(3)4/h1-4H3
• Isomeric SMILES: CN(C)P(=O)(N(C)C)Cl
• WGK Germany: 3
• Molecular Weight: 170.58
• Beilstein: 471430
• Reaxy-Rn: 471430
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=471430&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Organic phosphoramides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Organic phosphoramides
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphoramides
• Alternative Parents: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organic phosphoric acid amide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic phosphoramides. These are organic compounds containing the phosphoric acid amide functional 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Refractive Index: 1.4679
• Flash Point(°F): 246°F
• Flash Point(°C): 119℃
• Boil Point(°C): 246-247℃
• Molecular Weight: 170.580 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 170.038 Da
• Monoisotopic Mass: 170.038 Da
• Topological Polar Surface Area: 23.600 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 125.000
• 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