CAS 1885-81-0

1-Chloro-4-isocyanobenzene

Description:

1-Chloro-4-isocyanobenzene, with the CAS number 1885-81-0, is an organic compound characterized by the presence of both a chloro group and an isocyanate 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 isocyanate group, which can participate in various chemical reactions, including nucleophilic addition and polymerization. The chloro substituent enhances its electrophilic character, making it useful in synthetic organic chemistry. 1-Chloro-4-isocyanobenzene is often utilized in the production of pharmaceuticals, agrochemicals, and other specialty chemicals. It is important to handle this compound with care, as it may pose health risks, including skin and respiratory irritation. Proper safety measures, including the use of personal protective equipment and adequate ventilation, are essential when working with this substance.

Formula: C₇H₄ClN

InChI: InChI=1S/C7H4ClN/c1-9-7-4-2-6(8)3-5-7/h2-5H

InChI key: InChIKey=QPPCIPBFKQOIMT-UHFFFAOYSA-N

SMILES: [N+](#[C-])C1=CC=C(Cl)C=C1

Synonyms:

• 4-Chlorophenyl Isocyanide
• 4-Chlorophenyl isonitrile
• 4-Chlorphenylisocyanide
• 4-Isocyano-1-chlorobenzene
• Benzene, 1-chloro-4-isocyano-
• Benzene, 1-chloro-4-isocyano- (9CI)
• Bio-Farma Bf001949
• Chlorophenylisocyanate (3,4 -isomer)
• Hansa Isn-0726
• Phenyl isocyanide, p-chloro-
• p-Chlorophenyl isocyanide
• p-Chlorophenyl isonitrile

1-Chloro-4-isocyanobenzene

CAS: 1885-81-0

Formula: C₇H₄ClN

Color and Shape: Solid

Molecular weight: 137.5664

Ref: IN-DA002GXG

1-Chloro-4-isocyanobenzene

CAS: 1885-81-0

1-Chloro-4-isocyanobenzene (1CI) is an organic compound that has been used as a chemical probe for the detection of amines and other molecules on metal surfaces. The frequency shift in Raman spectra, which is observed after the addition of 1CI to the metal surface, is used to detect amines. 1CI has also been shown to be a potent inhibitor of mitochondrial function. This molecule binds to nucleophilic sites on metal surfaces and forms covalent bonds with them, leading to a high degree of inhibition.
1CI can be synthesized in three steps from commercially available starting materials and is relatively easy to purify.

Formula: C₇H₄ClN

Purity: Min. 95%

Molecular weight: 137.56 g/mol

Ref: 3D-BAA88581