Hexamethylphosphoramide - ≥98% , CAS No.680-31-9

CAS: 680-31-9 Cat. No.: H105636 Formula: C₆H₁₈N₃PO Molecular Weight: 179.2 Beilstein Registry Number: 1099903 EC Number: 211-653-8

GRADE & PURITY ≥98%

Synonyms

BP-21334 | EN300-17081 | FT-0627025 | MFCD00008303 | N-Bis(dimethylamino)phosphoryl-N-methyl-methanamine | Hexamethylphosphamide | Hexamethyl phosphoramide | EINECS 211-653-8 | hexamethyltriamidophosphate | HMPA | NCGC00164320-02 | hexamethyl phosphorotri

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Hexamethylphosphoramide is a polar aprotic solvent.

Specifications

Synonyms

BP-21334 | EN300-17081 | FT-0627025 | MFCD00008303 | N-Bis(dimethylamino)phosphoryl-N-methyl-methanamine | Hexamethylphosphamide | Hexamethyl phosphoramide | EINECS 211-653-8 | hexamethyltriamidophosphate | HMPA | NCGC00164320-02 | hexamethyl phosphorotri

Specifications & Purity

≥98%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504752380
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752380
• Canonical Smiles: CN(C)P(=O)(N(C)C)N(C)C
• IUPAC Name: N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine
• InChIKey: GNOIPBMMFNIUFM-UHFFFAOYSA-N
• INCHI: 1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3
• Isomeric SMILES: CN(C)P(=O)(N(C)C)N(C)C
• WGK Germany: 3
• RTECS: TD0875000
• UN Number: 2810
• Packing Group: I
• Molecular Weight: 179.2
• Beilstein: 1099903
• Reaxy-Rn: 1099903
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1099903&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: phosphoramide

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: air sensitive ；Moisture sensitive
• Freezing Point(°C): 6 °C
• Refractive Index: 1.459
• Flash Point(°F): 291.2 °F
• Flash Point(°C): 144 °C
• Boil Point(°C): 230-232°C
• Melt Point(°C): 7°C
• Molecular Weight: 179.200 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 179.119 Da
• Monoisotopic Mass: 179.119 Da
• Topological Polar Surface Area: 26.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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