Chemistry:Heptyl isocyanate
From HandWiki
| |
| Names | |
|---|---|
| IUPAC name
1-isocyanatoheptane
| |
Other names
| |
| Identifiers | |
3D model (JSmol)
|
|
| ChEMBL | |
| ChemSpider | |
| EC Number |
|
PubChem CID
|
|
CompTox Dashboard (EPA)
|
|
| |
| |
| Properties | |
| C8H15NO | |
| Molar mass | 141.214 g·mol−1 |
| Appearance | liquid |
| Density | 0.876 g/mL at 25 °C |
| Boiling point | 75 °C (167 °F; 348 K) |
| Hazards | |
| GHS pictograms |   
|
| GHS Signal word | Danger |
| HH302Script error: No such module "Preview warning".Category:GHS errors, HH312Script error: No such module "Preview warning".Category:GHS errors, HH332Script error: No such module "Preview warning".Category:GHS errors, HH315Script error: No such module "Preview warning".Category:GHS errors, HH317Script error: No such module "Preview warning".Category:GHS errors, HH318Script error: No such module "Preview warning".Category:GHS errors, HH334Script error: No such module "Preview warning".Category:GHS errors, HH335Script error: No such module "Preview warning".Category:GHS errors | |
| PP261Script error: No such module "Preview warning".Category:GHS errors, PP264Script 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, PP302Script error: No such module "Preview warning".Category:GHS errors, PP352Script error: No such module "Preview warning".Category:GHS errors, PP305Script error: No such module "Preview warning".Category:GHS errors, PP351Script error: No such module "Preview warning".Category:GHS errors, PP338Script error: No such module "Preview warning".Category:GHS errors | |
| Flash point | 63 °C (145 °F; 336 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 | |
Tracking categories (test):
Heptyl isocyanate is an organic chemical compound of carbon, hydrogen, nitrogen, and oxygen with the linear formula CH
3(CH
2)
6NCO.[2][3] The compound is classified as an aliphatic isocyanate, characterized by the presence of the reactive isocyanate functional group (–N=C=O) attached to a heptyl chain.
Structure
Heptyl isocyanate consists of a seven-carbon alkyl chain (heptyl group) bonded to an isocyanate group. The isocyanate group contains a cumulative double bond between nitrogen and carbon, which contributes to the compound's high reactivity.[4]
When the isocyanate group is attached to the second carbon of the heptyl chain, the resulting positional isomer is referred to as 2-heptyl isocyanate.[5]
Physical properties
The compound is a liquid.
Uses
The compound is primarily used as an intermediate in organic chemistry. Its applications include:[6]
- Polymer chemistry: As a monofunctional isocyanate, it is used as a chain terminator or modifying agent in the production of polyurethanes to control molecular weight and introduce specific end-group functionalities.[7]
- Pharmaceutical synthesis: It is employed as a building block or derivatizing agent in the synthesis of certain pharmaceutical compounds, particularly in the formation of carbamate-based drugs or prodrugs.[8]
- Agrochemicals: the compound serves as a precursor in the synthesis of pesticides and herbicides, where the urea or carbamate functional groups are common components.
References
- ↑ "Heptyl isocyanate". Sigma Aldrich. https://www.sigmaaldrich.com/RU/en/product/aldrich/389943?srsltid=AfmBOopogVV_wWmU8_P15hyDViqBtuYpdF3Rtnw0gzQR2VLigIwFhsvg.
- ↑ "Heptyl Isocyanate". TCI Chemicals. https://www.tcichemicals.com/OP/en/p/I0505.
- ↑ "Heptyl isocyanate | CAS 4747-81-3 | SCBT - Santa Cruz Biotechnology" (in en). scbt.com. https://www.scbt.com/p/heptyl-isocyanate-4747-81-3?srsltid=AfmBOorvwHWDgZG8f6T_Vt71IdPgfG9sjBuUSQ2qFWXaRdJd7_RCxXah.
- ↑ "n-Heptyl isocyanate" (in en). NIST. https://webbook.nist.gov/cgi/inchi?ID=C4747813&Mask=80.
- ↑ "(S)-(+)-2-Heptyl isocyanate" (in en). pubchem.ncbi.nlm.nih.gov. https://pubchem.ncbi.nlm.nih.gov/compound/S_-_-2-Heptyl-isocyanate.
- ↑ "Buy n-Heptyl isocyanate | 4747-81-3" (in en). smolecule.com. https://www.smolecule.com/products/s1893004.
- ↑ Teraoka, Iwao (14 February 2019) (in en). Statistical Thermodynamics: Basics and Applications to Chemical Systems. John Wiley & Sons. ISBN 978-1-119-37528-9. https://books.google.com/books?id=XUGIDwAAQBAJ&dq=Heptyl+isocyanate&pg=PT306. Retrieved 25 April 2026.
- ↑ Crouzel, C.; Hinnen, F.; Maitre, E. (1 March 1995). "Radiosynthesis of methyl and heptyl [11CIsocyanates from [11C]phosgene, application to the synthesis of carbamates: [11C]physostygmine and [11C]heptylphysostigmine"]. Applied Radiation and Isotopes 46 (3): 167–170. doi:10.1016/0969-8043(94)00126-K. ISSN 0969-8043. https://www.sciencedirect.com/science/article/abs/pii/096980439400126K. Retrieved 25 April 2026.
 |  |
