1-Chloro-4-(isothiocyanatomethyl)benzene
CAS Registry Number®
3694-45-9
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CAS Name
1-Chloro-4-(isothiocyanatomethyl)benzeneMolecular Formula
C8H6ClNSMolecular Mass
183.66Cite this Page
1-Chloro-4-(isothiocyanatomethyl)benzene. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3694-45-9 (retrieved ) (CAS RN: 3694-45-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
105-108 °C @ Press: 0.35 TorrDensity (1)
1.291 g/cm³ @ Temp: 20 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C8H6ClNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChIKey
InChIKey=DEHXIHUIYSXZNH-UHFFFAOYSA-N
SMILES
C(N=C=S)C1=CC=C(Cl)C=C1
Canonical SMILES
S=C=NCC1=CC=C(Cl)C=C1
Other Names for this Substance
- Benzene, 1-chloro-4-(isothiocyanatomethyl)-
- Isothiocyanic acid, p-chlorobenzyl ester
- Toluene, p-chloro-α-isothiocyanato-
- 1-Chloro-4-(isothiocyanatomethyl)benzene
- p-Chlorobenzyl isothiocyanate
