CAS 102561-41-1
:1-Ethyl-2-isocyanato-3-(1-methylethyl)benzene
Description:
1-Ethyl-2-isocyanato-3-(1-methylethyl)benzene, with the CAS number 102561-41-1, is an organic compound characterized by its isocyanate functional group, which is known for its reactivity and ability to form urethanes and other derivatives. This compound features a benzene ring substituted with an ethyl group and an isocyanato group at the 1 and 2 positions, respectively, along with a branched alkyl group (1-methylethyl) at the 3 position. The presence of the isocyanate group imparts significant chemical reactivity, making it useful in various applications, including the synthesis of polymers and pharmaceuticals. It is typically a colorless to pale yellow liquid with a distinctive odor. Due to the isocyanate functionality, it may pose health hazards, including respiratory irritation and sensitization, necessitating careful handling and appropriate safety measures. Its reactivity with nucleophiles makes it a valuable intermediate in organic synthesis, particularly in the production of isocyanate-based materials.
Formula:C12H15NO
InChI:InChI=1S/C12H15NO/c1-4-10-6-5-7-11(9(2)3)12(10)13-8-14/h5-7,9H,4H2,1-3H3
InChI key:InChIKey=TVTUCESWFCLZQK-UHFFFAOYSA-N
SMILES:N(=C=O)C1=C(C(C)C)C=CC=C1CC
Synonyms:- Benzene, 1-ethyl-2-isocyanato-3-(1-methylethyl)-
- 2-Ethyl-6-isopropylphenyl isocyanate
- 1-Ethyl-2-isocyanato-3-isopropylbenzene
- 1-Ethyl-2-isocyanato-3-(1-methylethyl)benzene
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