CAS 1983-99-9
:Benzoic acid, 4-isocyano-, ethyl ester
Description:
Benzoic acid, 4-isocyano-, ethyl ester, also known by its CAS number 1983-99-9, is an organic compound characterized by the presence of both an isocyanate and an ester functional group. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its specific form and purity. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic aromatic structure. The presence of the isocyanate group makes it reactive, particularly with nucleophiles, which can lead to various chemical transformations. Benzoic acid derivatives are often utilized in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. Additionally, the compound may exhibit biological activity, although specific studies on its toxicity and environmental impact are limited. As with many isocyanates, appropriate safety measures should be taken when handling this substance due to its potential health hazards, including respiratory irritation and sensitization.
Formula:C10H9NO2
InChI:InChI=1S/C10H9NO2/c1-3-13-10(12)8-4-6-9(11-2)7-5-8/h4-7H,3H2,1H3
InChI key:InChIKey=AUCNDAZBLKMEEM-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC=C([N+]#[C-])C=C1
Synonyms:- 1-(Ethoxycarbonyl)-4-isocyanobenzene
- 4-Ethoxycarbonylphenyl isocyanide
- Benzoic acid, 4-isocyano-, ethyl ester
- Benzoic acid, p-isocyano-, ethyl ester
- Ethyl 4-isocyanobenzoate
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