Phenethyl isothiocyanate
CAS Registry Number®
2257-09-2
CAS Name
Phenethyl isothiocyanateMolecular Formula
C9H9NSMolecular Mass
163.24Cite this Page
Phenethyl isothiocyanate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2257-09-2 (retrieved ) (CAS RN: 2257-09-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
139-140 °CMelting Point (2)
203-205 °CDensity (3)
1.0942 g/cm³ @ Temp: 20 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Markosyan, A. I.; Pharmaceutical Chemistry Journal, (2008), 42(6), 313-318, CAplus
- (3) Schmidt, Erich; Justus Liebigs Annalen der Chemie, (1957), 612, 11-22, CAplus
Other Names and Identifiers
InChI
InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
InChIKey
InChIKey=IZJDOKYDEWTZSO-UHFFFAOYSA-N
SMILES
C(CN=C=S)C1=CC=CC=C1
Canonical SMILES
S=C=NCCC=1C=CC=CC1
Other Names for this Substance
- Benzene, (2-isothiocyanatoethyl)-
- Isothiocyanic acid, phenethyl ester
- (2-Isothiocyanatoethyl)benzene
- Phenethyl mustard oil
- β-Phenylethyl isothiocyanate
