Benzene, 1-chloro-4-isocyanato-

• Formula: C₇H₄ClNO
• Molecular weight: 153.566
• IUPAC Standard InChI: InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H Copy

  
• IUPAC Standard InChIKey: ADAKRBAJFHTIEW-UHFFFAOYSA-N Copy
• CAS Registry Number: 104-12-1
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
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• Other names: Isocyanic acid, p-chlorophenyl ester; p-Chlorophenyl isocyanate; 1-Chloro-4-isocyanatobenzene; 4-Chlorophenyl isocyanate; para-Chlorophenyl isocyanate; 4-Chloro-iso-cyanatobenzene; p-Chlorfenylisokyanat; PCPI; NSC 76589; Phenylisocyanate, 4-chloro (Monuron decomposition product)
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Condensed phase thermochemistry data
  • Phase change data
  • Reaction thermochemistry data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
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Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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