CAS 745783-72-6

1-Chloro-4-[(1S)-1-isocyanatoethyl]benzene

Description:

1-Chloro-4-[(1S)-1-isocyanatoethyl]benzene, with the CAS number 745783-72-6, is an organic compound characterized by the presence of both a chloro group and an isocyanate functional group attached to a benzene ring. The chloro substituent is located at the para position relative to the isocyanate group, which is derived from an ethyl group. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It exhibits reactivity due to the isocyanate functional group, which can participate in nucleophilic addition reactions, making it useful in various synthetic applications, particularly in the production of polyurethanes and other polymers. Additionally, the presence of the chlorine atom can influence its reactivity and solubility in organic solvents. Safety precautions are essential when handling this compound, as isocyanates are known to be toxic and can cause respiratory irritation. Overall, 1-Chloro-4-[(1S)-1-isocyanatoethyl]benzene is a valuable intermediate in organic synthesis with specific applications in materials science.

Formula: C₉H₈ClNO

InChI: InChI=1S/C9H8ClNO/c1-7(11-6-12)8-2-4-9(10)5-3-8/h2-5,7H,1H3/t7-/m0/s1

InChI key: InChIKey=MDGZWQDRYKKTOB-ZETCQYMHSA-N

SMILES: [C@H](N=C=O)(C)C1=CC=C(Cl)C=C1

Synonyms:

• 1-Chloro-4-[(1S)-1-isocyanatoethyl]benzene
• (S)-1-Chloro-4-(1-isocyanatoethyl)benzene
• Benzene, 1-chloro-4-[(1S)-1-isocyanatoethyl]-
• (S)-(-)-1-(4-Chlorophenyl)Ethyl Isocyanate

(S)-(-)-1-(4-CHLOROPHENYL)ETHYL ISOCYANATE

CAS: 745783-72-6

Formula: C₉H₈ClNO

Molecular weight: 181.6189

Ref: IN-DA003CD1