Propyl isocyanate

Propyl isocyanate

Skeletal formula of propyl isocyanate
Names
IUPAC name 1-isocyanatopropane
Other names 1-propyl isocyanate n-propyl isocyanate PIC
Identifiers
CAS Number	110-78-1
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL441027
ChemSpider	54992
ECHA InfoCard	100.003.458
EC Number	203-803-6
PubChem CID	61033
UNII	EW62LG5TQ7
CompTox Dashboard (EPA)	DTXSID5051571
InChI InChI=1S/C4H7NO/c1-2-3-5-4-6/h2-3H2,1H3 Key: OQURWGJAWSLGQG-UHFFFAOYSA-N
SMILES CCCN=C=O
Properties
Chemical formula	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)
Solubility in water	decomposes in water
Hazards
GHS labelling: [1]
Pictograms
Signal word	Danger
Hazard statements	H225, H302, H312, H315, H317, H318, H332, H334, H335
Precautionary statements	P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, 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	Methyl isocyanate Ethyl isocyanate Butyl isocyanate Pentyl isocyanate
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.