Pentadecafluorotriethylamine - ≥90% , CAS No.359-70-6

CAS: 359-70-6 Cat. No.: P124666 Molecular Weight: 371.05 Beilstein Registry Number: 1813672 EC Number: 206-632-5

GRADE & PURITY ≥90%

Synonyms

Ethanamine, N,N-bis(pentafluoroethyl)-1,1,2,2,2-pentalfluoro- | MFCD00166270 | 4-02-00-00471 (Beilstein Handbook Reference) | Pentafluorotriethylamine, 96% | A823066 | 1,1,2,2,2-Pentafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)ethanamine | tris(1,1,2,2,2-pe

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Ethanamine, N, N-bis(pentafluoroethyl)-1, 1, 2, 2, 2-pentalfluoro- | MFCD00166270 | 4-02-00-00471 (Beilstein Handbook Reference) | Pentafluorotriethylamine, 96% | A823066 | 1, 1, 2, 2, 2-Pentafluoro-N, N-bis(1, 1, 2, 2, 2-pentafluoroethyl)ethanamine | tris(1, 1, 2, 2, 2-pe

Specifications & Purity

≥90%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥90%

Names and Identifiers

• Pubchem Sid: 488185655
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185655
• Canonical Smiles: C(C(F)(F)F)(N(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)(F)F
• IUPAC Name: 1,1,2,2,2-pentafluoro-N,N-bis(1,1,2,2,2-pentafluoroethyl)ethanamine
• InChIKey: CBEFDCMSEZEGCX-UHFFFAOYSA-N
• INCHI: 1S/C6F15N/c7-1(8,9)4(16,17)22(5(18,19)2(10,11)12)6(20,21)3(13,14)15
• Isomeric SMILES: C(C(F)(F)F)(N(C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)(F)F
• WGK Germany: 3
• RTECS: KH2155170
• Molecular Weight: 371.05
• Beilstein: 1813672
• Reaxy-Rn: 1813672
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1813672&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Nitrogen mustard compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Nitrogen mustard compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrogen mustard compounds
• Alternative Parents: Trialkylamines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Nitrogen mustard - Tertiary aliphatic amine - Tertiary amine - Organopnictogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.
• 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: air sensitive
• Refractive Index: 1.262
• Boil Point(°C): 68-69°C/743mmHg
• Molecular Weight: 371.050 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 3
• Exact Mass: 370.979 Da
• Monoisotopic Mass: 370.979 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 334.000
• 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