Molecular formula: C12H10ClN
Molecular weight: 203.67
EINECS No.: 202-922-0
Related categories:Organic Chemistry;Aromatics
Mol file: 101-17-7.mol
Melting point: 112°C (Solv:methanol(67-56-1))
Boiling point: 340°C
Density: 1,21g/cm3
Refractive index: 1.6513 (estimate)
Storage conditions: 2-8°C
Solubility: Chloroform (Slightly), MethChemicalbookanol (Slightly)
Acidity coefficient: (pKa)-0.20±0.30(Predicted)
Form: Oil
Color: Pale Yellow to Yellow
CAS database: 101-17-7 (CASDataBaseReference)
Biological activity: 3-Chlorodiphenylamine is a high-affinity cardiac Ca2+ sensitizer (Ca2+sensitizer). 3-Chlorodiphenylamine is based on the diphenylamine structure and can bind to the N-terminal domain of cardiac troponin C (cTnC) (Kd=6µM). 3-Chlorodiphenylamine, due to its small molecular size, can serve as an excellent starting scaffold for the development of stronger Ca2+ sensitizing compounds for the study of systolic heart failure.
Target Kd: 6µM(N-domainofcardiactroponinC(cTnC))Kd:10µM(cNTnC–cSpchimera)
Chemical Properties: Liquid. Boiling point: 335-336 ℃ (96.3kPa), relative density 1.200, refractive index 1.6513. Soluble in ethanol, benzene, acetic acid and ether.
Uses: m-chlorodiphenylamine is an organic intermediate of diphenylamine, which is used to produce the drug chlorpromazine.
production methods : by the condensation of o-chlorobenzoic acid and m-chloroaniline, and then decarboxylated with iron powder.
Hazard category code: 20/21/22
Safety Instructions: 28-36/37