CAS 327-78-6

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

Description:

4-Chloro-3-(trifluoromethyl)phenyl isocyanate, with the CAS number 327-78-6, is an organic compound characterized by its isocyanate functional group (-N=C=O) attached to a chlorinated aromatic ring. This compound features a trifluoromethyl group (-CF3) at the meta position relative to the isocyanate group, which significantly influences its chemical reactivity and physical properties. It is typically a colorless to pale yellow liquid or solid, depending on the temperature and purity. The presence of the chlorine and trifluoromethyl groups enhances its electrophilic character, making it a useful intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Due to its isocyanate functionality, it can react with amines and alcohols, forming ureas and carbamates, respectively. However, it is important to handle this compound with care, as isocyanates are known to be toxic and can cause respiratory irritation. Proper safety measures should be taken when working with this substance in a laboratory or industrial setting.

Formula: C₈H₃ClF₃NO

InChI: InChI=1/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H

InChI key: InChIKey=NBJZEUQTGLSUOB-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=CC(N=C=O)=CC=C1Cl

Synonyms:

• 1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboximidamide
• 1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene
• 3-Trifluoromethyl-4-chlorophenyl isocyanate
• 4-Chloro-1-isocyanato-3-trifluoromethylbenzene
• 4-Chloro-3-(trifluoro methyl)phenyl isocyanate
• 4-Chloro-3-(trifluoromethyl)phenylisocyanate
• 4-Chloro-α,α,α-trifluoro-m-tolyl isocyanate
• Benzene, 1-chloro-4-isocyanato-2-(trifluoromethyl)-
• Isocyanic acid, 4-chloro-α,α,α-trifluoro-m-tolyl ester
• Sorafenib intermediate 3
• 4-Chloro-3-(trifluoromethyl)phenyl isocyanate
• 3-TRIFLUOROMETHYL-4-CHLORO-PHENYL ISOCYANATE

4-Chloro-3-(trifluoromethyl)phenyl Isocyanate

CAS: 327-78-6

Formula: C₈H₃ClF₃NO

Purity: >98.0%(GC)

Color and Shape: White to Almost white powder to lump

Molecular weight: 221.56

Ref: 3B-C2778

4-Chloro-3-(trifluoromethyl)phenyl isocyanate, 97%

CAS: 327-78-6

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: C₈H₃ClF₃NO

Purity: 97%

Color and Shape: Crystals or powder or crystalline powder or fused solid or clear liquid as melt, Colorless to white

Molecular weight: 221.56

Ref: 02-L12016

4-Chloro-3-(Trifluoromethyl)Phenyl Isocyanate

CAS: 327-78-6

Formula: C₈H₃ClF₃NO

Purity: 95%

Color and Shape: Solid

Molecular weight: 221.5637

Ref: IN-DA0033ZD

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

CAS: 327-78-6

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

Purity: 98%

Molecular weight: 221.56g/mol

Ref: 54-PC10386

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

CAS: 327-78-6

4-Cl-3-(CF3)phenyl isocyanate made from o-chlorobenzotrifluoride and acetic anhydride.

Formula: C₈H₃ClF₃NO

Purity: ≥98%

Color and Shape: Solid

Molecular weight: 221.56

Ref: TM-T77702

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

CAS: 327-78-6

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

Purity: ≥98%

Molecular weight: 221.56g/mol

Ref: 54-BUP18562

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

CAS: 327-78-6

Formula: C₈H₃ClF₃NO

Purity: 98%

Color and Shape: Solid

Molecular weight: 221.56

Ref: 10-F024252

4-Chloro-3-(trifluoromethyl)phenyl Isocyanate

Controlled Product

CAS: 327-78-6

Applications 4-Chloro-3-(trifluoromethyl)phenyl isocyanate is used as a reagent to synthesize pyrimidinylaminobenzene derivatives, compounds that have antiproliferative activity against melanoma cell lines. 4-Chloro-3-(trifluoromethyl)phenyl isocyanate is also used to synthesize α-thymidine analogues that act as antimalarial agents.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Cui, H., et al.: J. Med. Chem., 55, 10948 (2012); Kim, H., et al.: Bull. Kor. Chem. Soc., 34, 2311 (2013)

Formula: C₈H₃ClF₃NO

Color and Shape: Neat

Molecular weight: 221.56

Ref: TR-C421940

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

CAS: 327-78-6

4-Chloro-3-(trifluoromethyl)phenyl isocyanate (4CTFPI) is a phenoxy that has significant antiproliferative activity and can be used to treat cancer. It can inhibit the growth of tumor cells by suppressing the production of growth factors and binding to the receptor for these factors, which leads to inhibition of cell division. 4CTFPI also inhibits tumor growth through its ability to induce apoptosis in cancer cells. 4CTFPI has been shown to have antitumor effects on sarcoma cells in vitro and in vivo with a low toxicity profile. This compound is not active against bacterial infections or fungi, but it does not show any carcinogenic effects.

Formula: C₈H₃ClF₃NO

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 221.56 g/mol

Ref: 3D-FC03027