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Cyanophosphaethyne information


Cyanophosphaethyne
Names
Preferred IUPAC name
Phosphanylidyneacetonitrile
Other names
1,4-Azaphosphabutadiyne; C-Cyanophosphaethyne; Phosphinidyneacetonitrile; Cyanophosphapropyne
Identifiers
CAS Number
  • 74896-22-3
3D model (JSmol)
  • Interactive image
ChemSpider
  • 35786589
PubChem CID
  • 12758601
CompTox Dashboard (EPA)
  • DTXSID30509137
InChI
  • InChI=1S/C2NP/c3-1-2-4
    Key: ZDTBSGXXDJXYMT-UHFFFAOYSA-N
SMILES
  • C(#N)C#P
Properties
Chemical formula
C2NP
Molar mass 69.003 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Cyanophosphaethyne is an unstable molecular compound with structural formula N≡C–C≡P. It can be considered as cyanogen with one nitrogen atom replaced by phosphorus. It has been made as a dilute gas. Cyanophosphaethyne has been tentatively detected in the interstellar medium.[1] Other structural isomers, such as C≡N–C≡P (isocyanophosphapropyne), C≡C-N≡P (azaphosphadicarbon), and N≡C–P=C (isocyanophosphavinylidene), have not been observed.[2] The molecule has linear molecular geometry (C∞v molecular symmetry).[3]

  1. ^ Agúndez, Marcelino; Cernicharo, José; Guélin, Michel (15 October 2014). "New molecules in IRC +10216: confirmation of C5S and tentative identification of MgCCH, NCCP, and SiH3CN". Astronomy & Astrophysics. 570: A45. arXiv:1408.6306. Bibcode:2014A&A...570A..45A. doi:10.1051/0004-6361/201424542.
  2. ^ Pham-Tran, Nguyen-Nguyen; Hajgató, Balázs; Veszpre´mi, Tamás; Tho Nguyen, Minh (2001). "Theoretical study of cyanophosphapropyne (NCCP), isocyanophosphapropyne (CNCP) and their isomers: stability and properties". Physical Chemistry Chemical Physics. 3 (9): 1588–1597. Bibcode:2001PCCP....3.1588P. doi:10.1039/b100463h.
  3. ^ Kwon, Ohyun; McKee, Michael L. (January 2001). "Theoretical Calculations on the NCCP Potential Energy Surface". The Journal of Physical Chemistry A. 105 (2): 478–483. Bibcode:2001JPCA..105..478K. doi:10.1021/jp0031855.

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