CAS 3529-82-6

3-Nitrophenyl isothiocyanate

Description:

3-Nitrophenyl isothiocyanate is an organic compound characterized by the presence of both a nitro group and an isothiocyanate functional group attached to a phenyl ring. Its molecular structure consists of a phenyl ring substituted at the meta position with a nitro group and at the para position with an isothiocyanate group. This compound is typically a yellow crystalline solid and is known for its reactivity, particularly in nucleophilic substitution reactions due to the electrophilic nature of the isothiocyanate group. It is often used in organic synthesis and as a reagent in various chemical reactions, including the preparation of thioureas and other derivatives. Additionally, 3-nitrophenyl isothiocyanate has applications in biological studies, particularly in the field of medicinal chemistry, where it may serve as a potential lead compound for the development of pharmaceuticals. Safety precautions should be taken when handling this compound, as it may pose health risks due to its reactive nature and potential toxicity.

Formula: C₇H₄N₂O₂S

InChI: InChI=1S/C7H4N2O2S/c10-9(11)7-3-1-2-6(4-7)8-5-12/h1-4H

InChI key: InChIKey=OEZXLKSZOAWNJU-UHFFFAOYSA-N

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

Synonyms:

• 1-Isothiocyanato-3-Nitrobenzene
• 3-Isothiocyanatonitrobenzene
• Benzene, 1-isothiocyanato-3-nitro-
• Isothiocyanic acid, m-nitrophenyl ester
• m-Nitrophenyl isothiocyanate
• 3-Nitrophenyl isothiocyanate

3-Nitrophenyl isothiocyanate

CAS: 3529-82-6

Formula: C₇H₄N₂O₂S

Purity: 98%

Color and Shape: Solid

Molecular weight: 180.1839

Ref: IN-DA003JTO

3-Nitrophenyl isothiocyanate

CAS: 3529-82-6

3-Nitrophenyl isothiocyanate

Purity: 98%

Molecular weight: 180.18386g/mol

Ref: 54-OR1021540

1-Isothiocyanato-3-nitrobenzene

CAS: 3529-82-6

Formula: C₇H₄N₂O₂S

Purity: >98.0%(GC)

Color and Shape: White to Almost white powder to crystaline

Molecular weight: 180.18

Ref: 3B-N1180

3-Nitrophenyl isothiocyanate

CAS: 3529-82-6

Formula: C₇H₄N₂O₂S

Purity: 98%

Color and Shape: Solid

Molecular weight: 180.18

Ref: 10-F009550

3-Nitrophenyl isothiocyanate

CAS: 3529-82-6

3-Nitrophenyl isothiocyanate (3NPITC) is a trifluoroacetic acid derivative that can be used as an anticancer agent. 3NPITC is synthesized in a solid-phase synthesis process, which involves the use of amines and provides a high detection sensitivity. 3NPITC inhibits the proliferation of glioma cells by inhibiting the growth of cells that are in the G1/S phase of the cell cycle. It also has cytostatic effects on other cancer cells, such as leukemia and lymphoma, due to its ability to inhibit DNA synthesis. 3NPITC does not exhibit chemical instability and has been shown to have an isolated yield of 83%.

Formula: O₂NC₆H₄NCS

Purity: Min. 95%

Molecular weight: 180.18 g/mol

Ref: 3D-DAA52982