CAS 2493-02-9

4-Bromophenyl isocyanate

Description:

4-Bromophenyl isocyanate is an organic compound characterized by the presence of both a bromine atom and an isocyanate functional group attached to a phenyl ring. Its molecular structure features a bromobenzene moiety, where the bromine atom is positioned at the para position relative to the isocyanate group. This compound is typically a colorless to pale yellow liquid with a pungent odor, indicative of the isocyanate functional group, which is known for its reactivity, particularly with nucleophiles. 4-Bromophenyl isocyanate is used in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals, due to its ability to form ureas and other derivatives through reactions with amines. It is important to handle this compound with care, as isocyanates can be toxic and irritating to the respiratory system and skin. Proper safety measures, including the use of personal protective equipment and working in a well-ventilated area, are essential when working with this substance.

Formula: C₇H₄BrNO

InChI: InChI=1S/C7H4BrNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

InChI key: InChIKey=CZQIJQFTRGDODI-UHFFFAOYSA-N

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

Synonyms:

• 1-Bromo-4-isocyanatobenzene
• 4-Bromophenylisocyanate
• Benzene, 1-bromo-4-isocyanato-
• Isocyanic acid, p-bromophenyl ester
• Nsc 8037
• p-Bromocarbanil
• p-Bromophenyl carbonimide
• p-Bromophenyl isocyanate
• p-Bromophenylisocyanate
• 4-Bromophenyl isocyanate

4-Bromophenyl Isocyanate

CAS: 2493-02-9

Formula: C₇H₄BrNO

Purity: >98.0%(GC)

Color and Shape: White to Light yellow powder to lump

Molecular weight: 198.02

Ref: 3B-B0636

4-Bromophenyl isocyanate, 99%

CAS: 2493-02-9

4-Bromophenyl isocyanate is used in the synthesis of mixed bisamide derivative and monoamide product. 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 Aesa

Formula: C₇H₄BrNO

Purity: 99%

Color and Shape: Crystals or powder or crystalline powder or lumps or fused solid, White to pale cream

Molecular weight: 198.02

Ref: 02-L10834

4-Bromophenyl isocyanate

CAS: 2493-02-9

4-Bromophenyl isocyanate

Purity: ≥95%

Molecular weight: 198.02g/mol

Ref: 54-OR322000

4-Bromophenyl isocyanate

CAS: 2493-02-9

Formula: C₇H₄BrNO

Purity: 98.0%

Color and Shape: Solid

Molecular weight: 198.019

Ref: 10-F046917

4-Bromophenyl isocyanate

CAS: 2493-02-9

4-Bromophenyl isocyanate (BPIC) is a chiral molecule that has been synthesized using an asymmetric synthesis. The chemical structure of BPIC consists of a benzene ring with a bromine atom attached to the 4th carbon on the left and two carbons attached to the right. The compound BPIC is a zwitterion, which means it has both a positive and negative charge in solution. This chemical can be used as a reagent for the Suzuki coupling reaction and reacts with nucleophiles such as ethyl diazoacetate to form an acyl halide. This reaction occurs at neutral pH, but does not occur in high salt solutions or in the presence of acyl halides. This molecule can also be used for structural analysis by nmr spectra and proton NMR spectra.

Formula: C₇H₄BrNO

Purity: Min. 95%

Molecular weight: 198.02 g/mol

Ref: 3D-FB06072