4-Chlorobenzyl isothiocyanate

cas: 3694-45-9 — see every product listed under this CAS number, including other names

4-Chlorobenzyl isothiocyanate (CAS 3694-45-9) is a chemical reagent available from Chemat. Available pack sizes: 1g. Offered by: Fluorochem.

brandFluorochem
catalog numberF002529-1G
cas3694-45-9
size1g
Documents: Safety Data Sheet (MSDS)

Available pack sizes

brand size price
Fluorochem 1g 195.78 Pln

properties

delivery time2-3 weeks
Structural formula: {0} (CAS {1})

1-chloro-4-(isothiocyanatomethyl)benzene (CAS 3694-45-9) is a chemical compound with the molecular formula C8H6ClNS and a molecular weight of 183.66 g/mol. IUPAC name: 1-chloro-4-(isothiocyanatomethyl)benzene. InChIKey: DEHXIHUIYSXZNH-UHFFFAOYSA-N.

Identity
Molecular formulaC8H6ClNS
Molecular weight183.66 g/mol
IUPAC name1-chloro-4-(isothiocyanatomethyl)benzene
InChIKeyDEHXIHUIYSXZNH-UHFFFAOYSA-N
SMILESC1=CC(=CC=C1CN=C=S)Cl

Computed by PubChem (NCBI)

Synonyms: 4-Chlorobenzyl isothiocyanate, 1-Chloro-4-(isothiocyanatomethyl)benzene, Benzene, 1-chloro-4-(isothiocyanatomethyl)-, p-Chlorobenzyl isothiocyanate, ISOTHIOCYANIC ACID, p-CHLOROBENZYL ESTER, 4-Chlorobenzylisothiocyanate, Toluene, p-chloro-alpha-isothiocyanato-, p-chlorobenzylisothiocyanate, 4-chlorobenzylisothio-cyanate, 4-12-00-02373 (Beilstein Handbook Reference)
Isomers (same molecular formula)
1-chloro-3-isothiocyanato-2-methylbenzene C8H6ClNS
7-chloro-2-methylthieno[3,2-b]pyridine C8H6ClNS
1-chloro-2-isothiocyanato-3-methylbenzene C8H6ClNS
(2-chlorophenyl)methyl thiocyanate C8H6ClNS
7-chloro-3-methylthieno[3,2-b]pyridine C8H6ClNS
5-(chloromethyl)-1,3-benzothiazole C8H6ClNS
7-chloro-3-methylthieno[2,3-c]pyridine C8H6ClNS
1-chloro-2-(isothiocyanatomethyl)benzene C8H6ClNS
4-chloro-1-isothiocyanato-2-methylbenzene C8H6ClNS
2-chloro-4-isothiocyanato-1-methylbenzene C8H6ClNS
4-chloro-2-isothiocyanato-1-methylbenzene C8H6ClNS
2-chloro-4-methyl-1,3-benzothiazole C8H6ClNS

Also listed as

4-Chlorobenzyl isothiocyanate, 95% Combi-blocks CAS 3694-45-9
4-Chlorobenzyl isothiocyanate, 97% Thermo Scientific (Alfa Aesar) CAS 3694-45-9

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