3-Chlorodiphenylamine
3-Chlorodiphenylamine
CAS: 101-17-7
Molecular Formula: C12H10ClN
3-Chlorodiphenylamine - Names and Identifiers
| Name | 3-Chlorodiphenylamine |
| Synonyms | 3-CHLORODIPHENYLAMINE 3-Chlorodiphenylamine 3-Chlorodiphenyl ether 3-chloro-N-phenylaniline Diphenylamine, 3-chloro- 3-Chloro-N-phenylaniline n-(3-chlorophenyl)aniline 3-Chloro-N-phenyl-benzenamine Benzenamine, 3-chloro-N-phenyl- N-(3-Chlorophenyl)-N-phenylamine |
| CAS | 101-17-7 |
| EINECS | 202-922-0 |
| InChI | InChI=1/C12H10ClN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H |
3-Chlorodiphenylamine - Physico-chemical Properties
| Molecular Formula | C12H10ClN |
| Molar Mass | 203.67 |
| Density | 1,21 g/cm3 |
| Melting Point | 112 °C(Solv: methanol (67-56-1)) |
| Boling Point | 340 °C |
| Flash Point | 147.4°C |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.000102mmHg at 25°C |
| Appearance | Oil |
| Color | Pale Yellow to Yellow |
| pKa | -0.20±0.30(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.6513 (estimate) |
| Physical and 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. |
| In vitro study | 3-Chlorodiphenylamine is able to bind highly ( K d =10 µM ) to a chimeric protein consisting of the regulatory N-domain of cTnC (cNTnC) and the switch region of cTnI ( cNTnC–cSp chimera ).3-Chlorodiphenylamine (100 µM) results in a 1.5-fold increase in the Ca 2+ sensitivity of force development without altering the maximal or resting forces in skinned ventricular trabeculae.3-Chlorodiphenylamine (25-100 µM) increases Ca 2+ sensitivity of the N-domain of intact cTnC after reconstitution into the cTn complex (cTnC complexed with cTnI and cTnT) in a concentration-dependent manner. It exhibits pCa 50 s with 6.39±0.01, 6.65±0.01, and 6.73±0.02 in the presence of 25, 50, and 100 µM 3-Chlorodiphenylamine, respectively. |
3-Chlorodiphenylamine - Risk and Safety
| Risk Codes | 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37 - Wear suitable protective clothing and gloves. |
3-Chlorodiphenylamine - Reference Information
| Biological activity | 3-Chlorodiphenylamine is a high-affinity myocardial 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 = 6 µM). Due to its small molecular size, 3-Chlorodiphenylamine can be used as an excellent starting scaffold for the development of stronger Ca2 + sensitizing compounds for the study of systolic heart failure. |
| target | Kd: 6 µM (N-domain of cardiac troponin C (cTnC))Kd: 10 µM (cNTnC-cSp chimera) |
| use | m-chlorodiphenylamine is an organic intermediate of diphenylamine used to produce chlorpromazine. |
| Production method | It is obtained by condensation of o-chlorobenzoic acid and m-chloroaniline, and then decarboxylation of iron powder. |
Last Update：2024-04-10 22:29:15
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View History
3-Chlorodiphenylamine
ALPHA-甲基紫罗兰酮
2253733-11-6
塑料抗静电剂
Napthol Opaque [GU]
128396-15-6
2-BIPHENYL-3',5'-DIFLUORO-ACETIC ACID
1H-pyrazole-3-carbaldehyde
3-Fluorophenylmagnesium bromide solution 1.0 in THF
uoro-2-pyridinyL
ALPHA-甲基紫罗兰酮
2253733-11-6
塑料抗静电剂
Napthol Opaque [GU]
128396-15-6
2-BIPHENYL-3',5'-DIFLUORO-ACETIC ACID
1H-pyrazole-3-carbaldehyde
3-Fluorophenylmagnesium bromide solution 1.0 in THF
uoro-2-pyridinyL