CAS 2740-81-0

2-Chlorophenyl isothiocyanate

Description:

2-Chlorophenyl isothiocyanate is an organic compound characterized by the presence of both a chlorophenyl group and an isothiocyanate functional group. Its molecular structure features a chlorine atom attached to a phenyl ring, which is further connected to an isothiocyanate group (-N=C=S). This compound is typically a colorless to pale yellow liquid with a pungent odor, indicative of its reactivity and potential toxicity. It is known for its use in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. The isothiocyanate functional group contributes to its biological activity, making it a subject of interest in medicinal chemistry and research on plant defense mechanisms. Due to its reactive nature, 2-chlorophenyl isothiocyanate can participate in nucleophilic substitution reactions and can act as a potent electrophile. Safety precautions are essential when handling this compound, as it may cause irritation to the skin, eyes, and respiratory system. Proper storage and handling protocols should be followed to mitigate any risks associated with its use.

Formula: C₇H₄ClNS

InChI: InChI=1/C7H4ClNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H

SMILES: c1ccc(c(c1)Cl)N=C=S

Synonyms:

• 1-Chloro-2-isothiocyanatobenzene
• Benzene, 1-chloro-2-isothiocyanato-

2-Chlorophenyl Isothiocyanate

CAS: 2740-81-0

Formula: C₇H₄ClNS

Purity: >95.0%(GC)

Color and Shape: Colorless to Light yellow clear liquid

Molecular weight: 169.63

Ref: 3B-I0534

2-Chlorophenyl isothiocyanate, 97%

CAS: 2740-81-0

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 reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₇H₄ClNS

Purity: 97%

Color and Shape: Clear colorless, Liquid

Molecular weight: 169.63

Ref: 02-A18238

1-chloro-2-isothiocyanatobenzene

CAS: 2740-81-0

Formula: C₇H₄ClNS

Purity: 97%

Color and Shape: Liquid

Molecular weight: 169.6314

Ref: IN-DA003H36

2-Chlorophenyl isothiocyanate

CAS: 2740-81-0

2-Chlorophenyl isothiocyanate

Purity: 97%

Color and Shape: Yellow Liquid

Molecular weight: 169.63g/mol

Ref: 54-OR28846

2-Chlorophenyl isothiocyanate

CAS: 2740-81-0

Formula: C₇H₄ClNS

Purity: 99.0%

Color and Shape: Liquid

Molecular weight: 169.63

Ref: 10-F008773

2-Chlorophenyl Isothiocyanate

CAS: 2740-81-0

2-Chlorophenyl Isothiocyanate is a molecule that has been shown to have cytotoxic activity against cancer cells. It is believed to work by inducing apoptosis and modulating the expression of certain genes. 2-Chlorophenyl Isothiocyanate has also been shown to induce cell death in fibroblast cells, which may be due to its ability to polarize these cells and cause them to become more susceptible to oxidative stress. It also has the ability to react with DNA via a dihedral mechanism. The thermodynamic data for this compound are high, as it can form strong hydrogen bonds and hydrophilic interactions with water molecules. This molecule also contains functional groups such as carbonyl and thiocarbonyl, which are reactive in biological systems. 2-Chlorophenyl Isothiocyanate's reaction mechanism is believed to involve electron transfer from an electron rich site on the molecule (such as a carbonyl)

Formula: C₇H₄ClNS

Purity: Min. 95%

Molecular weight: 169.63 g/mol

Ref: 3D-CAA74081