CymitQuimica logo

CAS 3694-45-9

:

1-Chloro-4-(isothiocyanatomethyl)benzene

Description:
1-Chloro-4-(isothiocyanatomethyl)benzene, with the CAS number 3694-45-9, is an organic compound characterized by the presence of a chlorine atom and an isothiocyanate functional group attached to a benzene ring. This compound features a chlorobenzene structure, where the chlorine atom is located at the para position relative to the isothiocyanatomethyl group. The isothiocyanate group (-N=C=S) is known for its reactivity and is often involved in various chemical reactions, including nucleophilic substitutions and cycloadditions. The presence of both the chlorine and isothiocyanate groups can impart unique chemical properties, making this compound of interest in synthetic organic chemistry and potential applications in agrochemicals or pharmaceuticals. Additionally, the compound may exhibit specific physical properties such as solubility in organic solvents and varying melting or boiling points, which are typical for halogenated aromatic compounds. Safety considerations should be taken into account due to the potential toxicity associated with isothiocyanates and halogenated compounds.
Formula:C8H6ClNS
InChI:InChI=1/C8H6ClNS/c9-8-3-1-7(2-4-8)5-10-6-11/h1-4H,5H2
InChI key:InChIKey=DEHXIHUIYSXZNH-UHFFFAOYSA-N
SMILES:C(N=C=S)C1=CC=C(Cl)C=C1
Synonyms:
  • 1-Chloro-4-(Isothiocyanatomethyl)Benzene
  • 1-Isothiocyanatomethyl-4-chlorobenzene
  • Benzene, 1-chloro-4-(isothiocyanatomethyl)-
  • Benzene, 1-chloro-4-(isothiocyanatomethyl)- (9CI)
  • Brn 2085917
  • Isothiocyanic acid, p-chlorobenzyl ester
  • Nsc 221238
  • Toluene, p-chloro-alpha-isothiocyanato- (6CI)
  • Toluene, p-chloro-α-isothiocyanato-
  • p-Chlorobenzyl isothiocyanate
  • See more synonyms
Sort by
Purity (%)
0
100
|
0
|
50
|
90
|
95
|
100
Found 4 products.