Phenyl isothiocyanate
CAS Registry Number®
103-72-0
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CAS Name
Phenyl isothiocyanateMolecular Formula
C7H5NSMolecular Mass
135.19Cite this Page
Phenyl isothiocyanate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=103-72-0 (retrieved ) (CAS RN: 103-72-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
221 °CMelting Point (1)
-21 °CDensity (2)
1.13 g/cm³
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Beleoukhari, N.; Asian Journal of Chemistry, (2008), 20(4), 2491-2496, CAplus
Other Names and Identifiers
InChI
InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey
InChIKey=QKFJKGMPGYROCL-UHFFFAOYSA-N
SMILES
N(=C=S)C1=CC=CC=C1
Canonical SMILES
S=C=NC=1C=CC=CC1
Other Names for this Substance
- Benzene, isothiocyanato-
- Isothiocyanic acid, phenyl ester
- Isothiocyanatobenzene
- Phenyl isothiocyanate
- Phenyl mustard oil
Deleted or Replaced CAS Registry Numbers
2124236-45-7
