(1-Isothiocyanatoethyl)benzene
CAS Registry Number®
4478-92-6
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CAS Name
(1-Isothiocyanatoethyl)benzeneMolecular Formula
C9H9NSMolecular Mass
163.24Cite this Page
(1-Isothiocyanatoethyl)benzene. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4478-92-6 (retrieved ) (CAS RN: 4478-92-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
122-123 °C @ Press: 12 Torr
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C9H9NS/c1-8(10-7-11)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKey
InChIKey=QQCJPTVZIZVKEZ-UHFFFAOYSA-N
SMILES
C(N=C=S)(C)C1=CC=CC=C1
Canonical SMILES
S=C=NC(C=1C=CC=CC1)C
Other Names for this Substance
- Benzene, (1-isothiocyanatoethyl)-
- Isothiocyanic acid, α-methylbenzyl ester
- (1-Isothiocyanatoethyl)benzene
- 1-Phenylethyl isothiocyanate
- α-Methylbenzylisothiocyanate
Deleted or Replaced CAS Registry Numbers
32393-32-1
