1-Isothiocyanatooctane
CAS Registry Number®
4430-45-9
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CAS Name
1-IsothiocyanatooctaneMolecular Formula
C9H17NSMolecular Mass
171.30Cite this Page
1-Isothiocyanatooctane. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=4430-45-9 (retrieved ) (CAS RN: 4430-45-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
123 °C @ Press: 12 Torr
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3
InChIKey
InChIKey=YEZHGQZHWKJPCM-UHFFFAOYSA-N
SMILES
C(CCCCC)CCN=C=S
Canonical SMILES
S=C=NCCCCCCCC
Other Names for this Substance
- Octane, 1-isothiocyanato-
- Isothiocyanic acid, octyl ester
- 1-Isothiocyanatooctane
- Octyl isothiocyanate
- n-Octyl isothiocyanate
