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Cas Database |
| Name |
3-Chlorodiphenylamine |
EINECS | 202-922-0 |
| CAS No. | 101-17-7 | Density | 1.216 g/cm3 |
| PSA | 12.03000 | LogP | 4.15660 |
| Solubility | N/A | Melting Point |
112 °C(Solv: methanol (67-56-1)) |
| Formula | C12H10ClN | Boiling Point | 337.822 °C at 760 mmHg |
| Molecular Weight | 203.671 | Flash Point | 147.422 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 28-36/37 | Risk Codes | 20/21/22 |
| Molecular Structure |
|
Hazard Symbols | R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; |
| Synonyms |
Diphenylamine,3-chloro- (6CI,8CI);N-(3-Chlorophenyl)aniline;N-(m-Chlorophenyl)aniline;Phenyl(m-chlorophenyl)amine;m-Chlorodiphenylamine; |
Article Data | 42 |
3-Chlorodiphenylamine Synthetic route
| Conditions | Yield |
|---|---|
| With tris(dibenzylideneacetone)dipalladium (0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene at 90 - 110℃; for 11h; Buchwald-Hartwig reaction; | 100% |
| With pectin-stabilized copper nanoparticles In dimethyl sulfoxide at 110℃; for 2h; | 82% |
| Conditions | Yield |
|---|---|
| With dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; chloro[2-(dicyclohexylphosphino)-3,6-dimethoxy-2',4',6'-triisopropyl-1,1'-biphenyl][2-(2-aminoethyl)phenyl]palladium(ll); sodium t-butanolate In toluene at 80℃; Inert atmosphere; | 96% |
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In ethanol at 75℃; for 1h; Inert atmosphere; | 95% |
| With toluene-4-sulfonic acid In ethanol at 75℃; | 40% |
| Conditions | Yield |
|---|---|
| With η5‐cyclopentadienyl‐η3‐1‐phenylallylpalladium; potassium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 80℃; for 12h; Reagent/catalyst; Temperature; Solvent; | 95% |
| Conditions | Yield |
|---|---|
| With copper immobilized at polyimide covalent organic framework In methanol; water at 20℃; for 8h; Chan-Lam Coupling; | 87% |
| With pyridine; copper(II) acetate monohydrate In dichloromethane at 39.84℃; for 24h; | 83% |
| With potassium tert-butylate; tetra(n-butyl)ammonium hydroxide; copper diacetate In water at 20℃; for 22h; | 72% |
| Conditions | Yield |
|---|---|
| Stage #1: nitrobenzene With [2,2]bipyridinyl; [MoO2Cl2(dmf)2] In toluene for 0.0333333h; Stage #2: 3-chlorophenylboronic acid With triphenylphosphine In toluene at 100℃; for 20h; | 87% |
- 88284-48-4
2-(trimethylsilyl)phenyl trifluoromethanesulfonate
- 108-42-9
3-chloro-aniline
- 101-17-7
3-chlorodiphenylamine
| Conditions | Yield |
|---|---|
| With cis,trans-2,5-dimethoxytetrahydrofuran; acetonedicarboxylic acid; cesium fluoride In acetonitrile at 20℃; | 85.7% |
| Conditions | Yield |
|---|---|
| With copper phthalocyanine; copper(II) sulfate In methanol at 15℃; | 85% |
| With tetrabenzoporphyrinatocobalt(II); copper diacetate In acetonitrile at 0℃; for 13h; chemoselective reaction; | 55% |
| Conditions | Yield |
|---|---|
| With copper diacetate; triethylamine at 20℃; for 24h; | 84% |
| Conditions | Yield |
|---|---|
| Stage #1: 3-Nitrochlorobenzene With [2,2]bipyridinyl; [MoO2Cl2(dmf)2] In toluene for 0.0333333h; Stage #2: phenylboronic acid With triphenylphosphine In toluene at 100℃; for 20h; | 84% |
3-Chlorodiphenylamine Specification
The Benzenamine,3-chloro-N-phenyl-, with the CAS registry number 101-17-7, is also known as Benzenamine, 3-chloro-N-phenyl-. Its EINECS registry number is 202-922-0. This chemical's molecular formula is C12H10ClN and molecular weight is 203.050177. Its IUPAC name is called 3-chloro-N-phenylaniline.
Physical properties of Benzenamine,3-chloro-N-phenyl-: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 509.23; (6)ACD/BCF (pH 7.4): 509.24; (7)ACD/KOC (pH 5.5): 3014.5; (8)ACD/KOC (pH 7.4): 3014.5; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.642; (13)Molar Refractivity: 60.52 cm3; (14)Molar Volume: 167.4 cm3; (15)Surface Tension: 46.1 dyne/cm; (16)Density: 1.216 g/cm3; (17)Flash Point: 147.4 °C; (18)Enthalpy of Vaporization: 58.11 kJ/mol; (19)Boiling Point: 337.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000102 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-chloro-aniline and iodobenzene. This reaction will need reagent K2CO3, Cu. The yield is about 50%.
Uses of Benzenamine,3-chloro-N-phenyl-: it can be used to produce (m-chlorophenyl)diphenylamine at temperature of 160 °C. This reaction will need solvent various solvents with reaction time of 27 hours. The yield is about 88%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. After contact with your skin, you must wash immediately with plenty of ... (to be specified by the manufacturer). Whenever you will contact it, please wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)NC2=CC(=CC=C2)Cl
(2)InChI: InChI=1S/C12H10ClN/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H
(3)InChIKey: OHHIBZKYXJDQEU-UHFFFAOYSA-N
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