CAS 18967-44-7

1-Chloro-2-(isothiocyanatomethyl)benzene

Description:

1-Chloro-2-(isothiocyanatomethyl)benzene, with the CAS number 18967-44-7, is an organic compound characterized by the presence of a chloro group and an isothiocyanate functional group attached to a benzene ring. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its reactivity due to the presence of the isothiocyanate group, which can participate in various chemical reactions, including nucleophilic substitutions and addition reactions. The chloro substituent can also influence the compound's reactivity and solubility in different solvents. 1-Chloro-2-(isothiocyanatomethyl)benzene is often used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals, agrochemicals, or other fine chemicals. Safety precautions should be taken when handling this compound, as it may pose health risks, including skin and respiratory irritation. Proper storage and disposal methods are essential to mitigate environmental impact and ensure safety in laboratory settings.

Formula: C₈H₆ClNS

InChI: InChI=1S/C8H6ClNS/c9-8-4-2-1-3-7(8)5-10-6-11/h1-4H,5H2

InChI key: InChIKey=RMVDNJDSLXQPAV-UHFFFAOYSA-N

SMILES: C(N=C=S)C1=C(Cl)C=CC=C1

Synonyms:

• 1-Chloro-2-(Isothiocyanatomethyl)Benzene
• Benzene, 1-chloro-2-(isothiocyanatomethyl)-
• Benzene, 1-chloro-2-(isothiocyanatomethyl)- (9CI)
• Brn 2936688
• Isothiocyanic acid, o-chlorobenzyl ester
• Nsc 221237
• Toluene, o-chloro-α-isothiocyanato-
• o-Chlorobenzyl isothiocyanate
• 4-12-00-02362 (Beilstein Handbook Reference)
• 2-Chlorobenzyl isothiocyanate

2-Chlorobenzyl isothiocyanate, 97%

CAS: 18967-44-7

2-Chlorobenzyl isothiocyanate is used as pharmaceutical intermediate. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU ref

Formula: C₈H₆ClNS

Purity: 97%

Color and Shape: Clear pale yellow to yellow to orange to red, Liquid

Molecular weight: 183.65

Ref: 02-L10546

Benzene, 1-chloro-2-(isothiocyanatomethyl)-

CAS: 18967-44-7

Formula: C₈H₆ClNS

Molecular weight: 183.6579

Ref: IN-DA002DVY

2-Chlorobenzyl isothiocyanate

CAS: 18967-44-7

2-Chlorobenzyl isothiocyanate

Molecular weight: 183.65794g/mol

Ref: 54-OR1021270

2-Chlorobenzyl isothiocyanate

CAS: 18967-44-7

Formula: C₈H₆ClNS

Purity: 98.0%

Color and Shape: Liquid

Molecular weight: 183.65

Ref: 10-F002527

2-Chlorobenzyl isothiocyanate

CAS: 18967-44-7

2-Chlorobenzyl isothiocyanate is a ligand that binds to the bacterial enzyme carboxylase, which is involved in the biosynthesis of amino acids and nucleotides. This ligand inhibits the synthesis of these compounds by binding to the active site of the enzyme. 2-Chlorobenzyl isothiocyanate has been shown to be an antibacterial agent against E. coli and E. coli O157:H7, but not other bacteria such as Listeria monocytogenes or Pseudomonas aeruginosa.

Formula: C₈H₆ClNS

Purity: Min. 95%

Molecular weight: 183.66 g/mol

Ref: 3D-TAA96744