3-Chlorodiphenylamine supplier

Name
3-CHLORODIPHENYLAMINE
EINECS 202-922-0
CAS No. 101-17-7
Article Data42
CAS DataBase
Density 1.216 g/cm³
Solubility
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
Appearance
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;
PSA 12.03000
LogP 4.15660

Synthetic route

: 108-86-1
bromobenzene

: 108-42-9
3-chloro-aniline

: 101-17-7
3-chlorodiphenylamine

Conditions

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%

: 625-99-0
3-iodochlorobenzene

: 98-16-8
3-trifluoromethylaniline

: 101-17-7
3-chlorodiphenylamine

Conditions

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%

: 33948-36-6
2-iodocyclohex-2-en-1-one

: 108-42-9
3-chloro-aniline

: 101-17-7
3-chlorodiphenylamine

Conditions

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%

: 1535-32-6
3-chlorophenyl fluorosulfonate

: 62-53-3
aniline

: 101-17-7
3-chlorodiphenylamine

Conditions

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%

: 108-42-9
3-chloro-aniline

: 98-80-6
phenylboronic acid

: 101-17-7
3-chlorodiphenylamine

Conditions

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%

: 63503-60-6
3-chlorophenylboronic acid

: 98-95-3
nitrobenzene

: 101-17-7
3-chlorodiphenylamine

Conditions

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

Conditions	Yield
With cis,trans-2,5-dimethoxytetrahydrofuran; acetonedicarboxylic acid; cesium fluoride In acetonitrile at 20℃;	85.7%

: 62-53-3
aniline

: 14763-20-3
3-chlorophenyl hydrazine

: 101-17-7
3-chlorodiphenylamine

Conditions

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%

: 639-58-7
triphenyltin chloride

: 108-42-9
3-chloro-aniline

: 101-17-7
3-chlorodiphenylamine

Conditions

Conditions	Yield
With copper diacetate; triethylamine at 20℃; for 24h;	84%

: 121-73-3
3-Chloronitrobenzene

: 98-80-6
phenylboronic acid

: 101-17-7
3-chlorodiphenylamine

Conditions

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%

: 108-37-2
1-bromo-3-chlorobenzene

: 62-53-3
aniline

: 101-17-7
3-chlorodiphenylamine

Conditions

Conditions	Yield
With palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene for 24h; Reflux;	82%
With palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene for 24h; Reflux;	82%
With palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene for 24h; Reflux;	82%
With potassium hydroxide In N,N-dimethyl-formamide at 130℃; for 0.483333h; Buchwald-Hartwig Coupling;	68%

: 63503-60-6
3-chlorophenylboronic acid

: 62-53-3
aniline

: 101-17-7
3-chlorodiphenylamine

Conditions

Conditions	Yield
With 2,6-dimethylpyridine; tetrabutylammonium perchlorate; copper diacetate; triethylamine In acetonitrile at 20℃; for 20h; Chan-Lam Coupling; Electrochemical reaction; chemoselective reaction;	75%
With N-(pyrid-2-yl)benzamide; nickel(II) acetate tetrahydrate; N,N,N',N'-tetramethylguanidine In toluene at 60℃; for 24h; Chan-Lam Coupling;	74%
With ammonium cerium (IV) nitrate; copper diacetate In toluene at 20℃; for 12h; Chan-Lam Coupling;	73%
With 2,6-dimethylpyridine; fac-tris(2-phenylpyridinato-N,C2')iridium(III); copper diacetate; n-tetradecanoic acid In toluene; acetonitrile at 35℃; for 20h; Reagent/catalyst; Chan-Lam Coupling; Irradiation;	62%
With C30H25N4O(1-)3C2H3O2(1-)2Cu(2+) In methanol at 20℃; for 24h;	34 %Spectr.

: 65739-06-2
3-[(4-methylphenyl)sulfonyl]-1-phenyltriaz-1-ene

: 63503-60-6
3-chlorophenylboronic acid

: 101-17-7
3-chlorodiphenylamine

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 110℃; for 24h; Molecular sieve; Inert atmosphere; Schlenk technique;	65%

: 591-50-4
iodobenzene

: 108-42-9
3-chloro-aniline

: 101-17-7
3-chlorodiphenylamine

Conditions

Conditions	Yield
With copper; potassium carbonate	50%

: 108-86-1
bromobenzene

: 588-07-8
3-Chloroacetanilide

: 101-17-7
3-chlorodiphenylamine

Conditions

Conditions	Yield
With copper; potassium carbonate; potassium iodide Reagens 4: Nitrobenzol; und Erwaermen des Reaktionsprodukts mit wss.-aethanol. HCl;
With copper(l) iodide; potassium carbonate In nitrobenzene for 15h; Heating;

: 13278-36-9
N-(3-chlorophenyl)anthranilic acid

: 101-17-7
3-chlorodiphenylamine

Conditions

Conditions	Yield
at 250 - 260℃;

: 73347-61-2
N-(3-chloro-phenyl)-N-phenyl-benzamide

A: 101-17-7
3-chlorodiphenylamine

B: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With barium dihydroxide; cetyltrimethylammonim bromide In water at 65.5℃; Rate constant; Mechanism; absence of ctab, other reagent, other solvent;

: 108-90-7
chlorobenzene

: 622-37-7
Phenyl azide

A: 101-17-7
3-chlorodiphenylamine

B: 1205-71-6
N-(4-chlorophenyl)aniline

C: 1205-40-9
N-phenyl-2-chloroaniline

Conditions

Conditions	Yield
With trifluorormethanesulfonic acid at 65℃; for 2h; Yield given. Yields of byproduct given;

...Expand

diazotized N-<3-amino-phenyl>-acetanilide: diazotized N-<3-amino-phenyl>-acetanilide

: 101-17-7
3-chlorodiphenylamine

Conditions

Conditions	Yield
With copper(l) chloride und nachfolgenden Hydrolyse;

: 108-42-9
3-chloro-aniline

halobenzene: halobenzene

: 101-17-7
3-chlorodiphenylamine

Conditions

Conditions	Yield
for 0.25h; Microwave irradiation;

: 349579-42-6
C15H14ClNO2

: 101-17-7
3-chlorodiphenylamine

Conditions

Conditions	Yield
With potassium hydroxide at 130℃; for 2h;	138 mg

: 62-53-3
aniline

: 101-17-7
3-chlorodiphenylamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: sodium nitrite; hydrogenchloride; sodium acetate / water / 1 h / 0 °C 1.2: 0 - 20 °C 2.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / toluene / 24 h / 110 °C / Molecular sieve; Inert atmosphere; Schlenk technique View Scheme

: 101-17-7
3-chlorodiphenylamine

: 79-04-9
chloroacetyl chloride

: 83254-79-9
N-chloroacetyl-N-phenyl-m-chloroaniline

Conditions

Conditions	Yield
In toluene Heating;	95%
In N,N-dimethyl-formamide at 20℃; for 4h;	89.6%
In benzene Heating;
In toluene

: 101-17-7
3-chlorodiphenylamine

: 88-10-8
N,N-diethylcarbamyl chloride

: 883726-46-3
N,N-diethyl-N'-(3-chlorophenyl)-N'-phenylurea

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran at 0 - 20℃;	89%

: 591-50-4
iodobenzene

: 101-17-7
3-chlorodiphenylamine

: 106336-13-4
(m-chlorophenyl)diphenylamine

Conditions

Conditions	Yield
potassium hydroxide; copper In various solvent(s) at 160℃; for 27h;	88%

: 101-17-7
3-chlorodiphenylamine

: 917-61-3
sodium isocyanate

: 86576-00-3
1-(m-chlorophenyl)-1-phenylurea

Conditions

Conditions	Yield
With trifluoroacetic acid In benzene for 5h; Ambient temperature;	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

Product Name

3-CHLORODIPHENYLAMINE

Synthetic route

3-Chlorodiphenylamine Specification

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