Chemistry:Hexyl isocyanate
| Hexyl isocyanate | |
| Names | |
|---|---|
| IUPAC name
1-isocyanatohexane
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Other names
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| Identifiers | |
3D model (JSmol)
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| ChEBI | |
| ChemSpider | |
| EC Number |
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| 200966 | |
PubChem CID
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| UNII | |
CompTox Dashboard (EPA)
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| Properties | |
| C7H13NO | |
| Molar mass | 127.187 g·mol−1 |
| Appearance | clear liquid |
| Density | 0.873 g/mL at 25 °C |
| Boiling point | 162–164 °C (324–327 °F; 435–437 K) |
| decomposes in water | |
| Hazards | |
| GHS pictograms |   
|
| GHS Signal word | Danger |
| HH226Script error: No such module "Preview warning".Category:GHS errors, HH302Script error: No such module "Preview warning".Category:GHS errors, HH312Script error: No such module "Preview warning".Category:GHS errors, HH317Script error: No such module "Preview warning".Category:GHS errors, HH334Script error: No such module "Preview warning".Category:GHS errors | |
| PP210Script error: No such module "Preview warning".Category:GHS errors, PP233Script error: No such module "Preview warning".Category:GHS errors, PP240Script error: No such module "Preview warning".Category:GHS errors, PP280Script error: No such module "Preview warning".Category:GHS errors, PP301Script error: No such module "Preview warning".Category:GHS errors, PP312Script error: No such module "Preview warning".Category:GHS errors, PP303Script error: No such module "Preview warning".Category:GHS errors, PP361Script error: No such module "Preview warning".Category:GHS errors, PP353Script error: No such module "Preview warning".Category:GHS errors | |
| Flash point | 59 °C (138 °F; 332 K) |
| Related compounds | |
Related compounds
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Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). | |
| Infobox references | |
Hexyl isocyanate is an organic chemical compound of carbon, hydrogen, nitrogen, and oxygen with the linear formula CH
3(CH
2)
5NCO.[2] The compound belongs to the family of isocyanates, characterized by the reactive functional group –N=C=O.[3][4]
Structure
Hexyl isocyanate consists of a six-carbon hexyl chain CH
3(CH
2)
5– attached to an isocyanate group –N=C=O.[5]
Synthesis
Hexyl isocyanate can be synthesized through several methods. The traditional industrial synthesis involves the reaction of hexylamine with phosgene. This proceeds via the formation of a carbamoyl chloride intermediate, which subsequently decomposes to yield hexyl isocyanate and hydrogen chloride.[6]
Physical properties
The compound is a colorless to pale yellow flammable liquid with a pungent odor. Decomposes in water.[7]
Uses
The compound serves primarily as an intermediate in the synthesis of various chemicals, including polyurethanes and other polymers.[8]
Hexyl isocyanate has also been investigated for its antigenicity in guinea pig animal models of hapten-specific respiratory hypersensitivity. It has been shown to induce respiratory sensitization and inflammation in the respiratory tract.[6]
References
- ↑ "Hexyl isocyanate". Sigma Aldrich. https://www.sigmaaldrich.com/RU/en/product/aldrich/414883?srsltid=AfmBOorj4J1sRvFgnlYP_XlPKS6ickbYPbPjoplzcajQMaYVhS4axfSa.
- ↑ "NCATS Inxight Drugs — HEXYL ISOCYANATE" (in en). drugs.ncats.io. https://drugs.ncats.io/substance/K9T9YK3VJU.
- ↑ "Hexyl isocyanate, 99% 5 g | Buy Online | Thermo Scientific Chemicals | thermofisher.com" (in en). Thermo Fisher. https://www.thermofisher.com/order/catalog/product/411660050.
- ↑ "Hexyl isocyanate | CAS 2525-62-4 | SCBT - Santa Cruz Biotechnology" (in en). scbt.com. https://www.scbt.com/p/hexyl-isocyanate-2525-62-4?srsltid=AfmBOoosj_B0JtEs7He_pLbVhjMizgjIJlOi_t_uKDv23JK2jrdD90ww.
- ↑ "hexyl isocyanate". semantics.cancer.gov. https://evsexplore.semantics.cancer.gov/evsexplore/concept/chebi/CHEBI:59058.
- ↑ 6.0 6.1 "Hexyl isocyanate | 2525-62-4 | Benchchem" (in en). benchchem.com. https://www.benchchem.com/zh/product/1205887.
- ↑ "Hexyl isocyanate, 99% 5 g | Buy Online | Thermo Scientific Chemicals | Fisher Scientific" (in en). Fisher Scientific. https://www.fishersci.com/shop/products/hexyl-isocyanate-99-thermo-scientific/AC411660050.
- ↑ "414883-25ML" (in en). scientificlabs.ie. https://www.scientificlabs.ie/product/nitrogen-compounds/414883-25ML.
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