3-Chlorophenyl isothiocyanate
CAS Registry Number®
2392-68-9
CAS Name
3-Chlorophenyl isothiocyanateMolecular Formula
C7H4ClNSMolecular Mass
169.63Cite this Page
3-Chlorophenyl isothiocyanate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=2392-68-9 (retrieved ) (CAS RN: 2392-68-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
249.5 °CDensity (2)
1.115 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/C7H4ClNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey
InChIKey=WGXCKFMVBAOIFH-UHFFFAOYSA-N
SMILES
N(=C=S)C1=CC(Cl)=CC=C1
Canonical SMILES
S=C=NC=1C=CC=C(Cl)C1
Other Names for this Substance
- Benzene, 1-chloro-3-isothiocyanato-
- Isothiocyanic acid, m-chlorophenyl ester
- 1-Chloro-3-isothiocyanatobenzene
- m-Chlorophenyl isothiocyanate
- 3-Chlorophenyl isothiocyanate
Deleted or Replaced CAS Registry Numbers
1619287-31-8
