6-Chloro-3-hydroquinazolin-4-one

CAS: 16064-14-5

Ref. 3D-FC139868

Product Information

• Name: 6-Chloro-3-hydroquinazolin-4-one
• Synonyms: 4(1H)-Quinazolinone, 6-chloro-, 4(3H)-Quinazolinone, 6-chloro-, 4-Quinazolinol, 6-chloro-, 6-Chloro-3,4-dihydroquinazolin-4-one, 6-Chloro-3H-Quinazolin-4-One, 6-Chloro-4(3H)-Quinazolinon, 6-Chloro-4(3H)-quinazolinone, 6-Chloro-4-Quinazolinone, 6-Chloro-4-quinazolinol, 6-Chloro-4-quinazolone, 6-Chloroquinazolin-4(3H)-One, 6-Chloroquinazolin-4-Ol, 6-chloroquinazolin-4(1H)-one, NSC 52062
• CAS: 16064-14-5

Description

6-Chloro-3-hydroquinazolin-4-one is a molecule that has been studied in the functional theory of inhibition. It acts as an inhibitor molecule and can be used to study the thermodynamic properties of alcohols. 6CHQ4 inhibits the reaction by forming a covalent bond to ethylene diamine. This type of inhibition is reversible, so it can be used to study the kinetics of hydrolysis and oxidation reactions. The model system involves butanol, which is a reactive molecule that can undergo nucleophilic substitution with ethylene diamine. The mechanism of inhibition is thought to be due to electron donation from 6CHQ4 to form an oxonium ion intermediate that reacts with butanol, leading to formation of a stable product (i.e., butyl alcohol).

• Brand: Biosynth

Chemical properties

• Molecular weight: 180.59 g/mol
• Formula: C₈H₅ClN₂O
• Purity: Min. 95%
• InChI: InChI=1S/C8H5ClN2O/c9-5-1-2-7-6(3-5)8(12)11-4-10-7/h1-4H,(H,10,11,12)
• InChI key: InChIKey=GOBVWEUSCRFCPB-UHFFFAOYSA-N
• SMILES: O=c1[nH]cnc2ccc(Cl)cc12