Propyl isocyanate

Propyl isocyanate
Names
IUPAC name
1-isocyanatopropane
Other names
  • 1-propyl isocyanate
  • n-propyl isocyanate
  • PIC
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
ECHA InfoCard 100.003.458
EC Number
  • 203-803-6
UNII
  • InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3
    Key: OQURWGJAWSLGQG-UHFFFAOYSA-N
  • CCCN=C=O
Properties
C4H7NO
Molar mass 85.106 g·mol−1
Appearance colourless liquid with a pungent odor
Density 0.908 g/cm3
Melting point −30 °C (−22 °F; 243 K)
Boiling point 83–84 °C (181–183 °F; 356–357 K)
decomposes in water
Hazards
GHS labelling:[1]
Danger
H225, H302, H312, H315, H317, H318, H332, H334, H335
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P333+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501
Flash point 0 °C (32 °F; 273 K)
Related compounds
Related compounds
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Propyl isocyanate is an organic chemical compound of carbon, hydrogen, nitrogen, and oxygen with the linear formula CH3CH2CH2NCO.[2][3]

Synthesis

Propyl isocyanate is usually produced by a condensation reaction or by Fischer–Speier esterification with sulfuric acid as a catalyst.

Physical properties

Propyl isocyanate is sparingly soluble in water, reacts with water, but very soluble in alcohol, diethyl ether, chloroform, and most organic solvents.[4]

The compound forms a highly flammable, colorless liquid with a sharp odor. Very toxic by ingestion, may cause burns and death.[5][6]

Chemical properties

Propyl isocyanate reacts with strong oxidizing agents and strong bases and possesses antifungal and antibacterial properties. Reacts vigorously with water, producing a toxic vapor.[7]

Uses

The compound is used in production of other chemicals and insecticides.[8]

References

  1. ^ PubChem. "Propyl isocyanate". pubchem.ncbi.nlm.nih.gov. Retrieved 2026-01-20.
  2. ^ "Propyl isocyanate". Sigma Aldrich. Retrieved 19 January 2026.
  3. ^ "CAS RN: 110-78-1, Product Number: I0139 Propyl Isocyanate". TCI Chemicals. Retrieved 19 January 2026.
  4. ^ Kagakkai, Nihon (1990). Bulletin of the Chemical Society of Japan. Chemical Society of Japan. p. 3488. Retrieved 19 January 2026.
  5. ^ "n-Propyl isocyanate - Hazardous Agents | Haz-Map". haz-map.com. Retrieved 20 January 2026.
  6. ^ "Propyl isocyanate | 110-78-1". Chemicalbook.com. Retrieved 20 January 2026.
  7. ^ "n-Propyl isocyanate, 99% 5 g | Buy Online | Thermo Scientific Acros | Fisher Scientific". Fisher Scientific. Retrieved 19 January 2026.
  8. ^ Pohanish, Richard P. (2012). Sittig's Handbook of Toxic and Hazardous Chemicals and Carcinogens. William Andrew. p. 2248. ISBN 978-1-4377-7869-4. Retrieved 19 January 2026.