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3-CHLORODIPHENYLAMINE #CAS101-17-7

CAS Number:101-17-7

Chemical Formula:C12H10ClN

Synonyms:

Benzenamine, 3-chloro-N-phenyl-
n-(3-chlorophenyl)aniline
3-Chloro-N-phenylbenzenamine
Appearance:Pale Yellow to Yellow Oil

MOQ (Minimum Order Quantity): 1 FCL (Full Container Load)

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Product Details

3-CHLORODIPHENYLAMINE #CAS101-17-7

3-Chlorodiphenylamine, also known as m-chlorodiphenylamine, is an organic compound. It is a liquid at room temperature with a density of 1.21 g/mL (25℃), a boiling point of 340℃ at normal pressure, and a melting point of 112℃. It is soluble in ethanol, benzene, acetic acid, and diethyl ether. This substance is synthesized by decarboxylation of iron powder following the condensation of o-chlorobenzoic acid and m-chloroaniline.

As a pharmaceutical intermediate, 3-chlorodiphenylamine is mainly used in the production of chlorpromazine (CAS 50-53-3). Its biological activity is bound to cardiac troponin C (cTnC) (Kd=6 µM), and it can be used in studies of systolic heart failure. This compound is classified as a hazardous chemical, posing risks of inhalation, skin contact, and ingestion (hazard symbol Xn). Protective equipment must be worn during handling, and contact sites should be rinsed immediately.

Application of 3-CHLORODIPHENYLAMINE

Medicine and Life Sciences: This compound is a high-affinity cardiac calcium ion sensitizer (Ca²⁺ sensitizer) that can interact with cardiac troponin C in biomedical research. Fine chemical synthesis: often used as raw material for pharmaceutical intermediates, dyes and high-performance rubber additives.

3-CHLORODIPHENYLAMINE Chemical Properties

Melting point	112 °C(Solv: methanol (67-56-1))
Boiling point	340 °C
density	1,21 g/cm³
refractive index	1.6513 (estimate)
storage temp.	2-8°C
solubility	Chloroform (Slightly), Methanol (Slightly)
pka	-0.20±0.30(Predicted)
form	Oil
color	Pale Yellow to Yellow
InChI	InChI=1S/C12H10ClN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H
InChIKey	OHHIBZKYXJDQEU-UHFFFAOYSA-N
SMILES	C1(NC2=CC=CC=C2)=CC=CC(Cl)=C1
CAS DataBase Reference	101-17-7(CAS DataBase Reference)