CAS No.122-39-4,Diphenylamine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	122-39-4
Name:	Diphenylamine
Article Data:	910

Formula:	C₁₂H₁₁N
Molecular Weight:	169.226
Synonyms:	Anilinobenzene;Benzene, (phenylamino)-;DFA;DPA;N,N-Diphenylamine;N-Phenylaniline;N-Phenylbenzenamine;NSC 215210;Naugalube 428L;No-Scald;Benzenamine,N-phenyl-;
EINECS:	204-539-4
Density:	1.088 g/cm³
Melting Point:	52 °C
Boiling Point:	302 °C at 760 mmHg
Flash Point:	152.8 °C
Solubility:	0.03 g/100 mL in water
Appearance:	white crystals or powder
Hazard Symbols:	T,N,F
Risk Codes:	23/24/25-33-50/53-52/53-39/23/24/25-11
Safety:	28-36/37-45-60-61-28A-16-7
Transport Information:	UN 3077 9/PG 3
PSA:	12.03000
LogP:	3.50320

Synthetic route

: 108-86-1
bromobenzene

: 62-53-3
aniline

: 122-39-4
diphenylamine

Conditions

Conditions	Yield
With sodium t-butanolate; tri tert-butylphosphoniumtetrafluoroborate; Pd{dba(OMe)}2 In toluene at 25℃; for 0.166667h; Buchwald-Hartwig cross coupling reaction;	100%
With potassium ethoxide In 1,4-dioxane at 200℃; Catalytic behavior; Buchwald-Hartwig Coupling;	100%
With C31H26N4PPdS(1+)*Cl(1-); sodium t-butanolate In toluene at 95℃; for 14h; Catalytic behavior;	100%

: 1132-38-3
N-cyclohexylidenebenzenamine

: 122-39-4
diphenylamine

Conditions

Conditions	Yield
palladium-carbon In diethylene glycol dimethyl ether; water; nitrobenzene; benzene	100%
palladium-carbon In water; nitrobenzene; benzene	100%
palladium-carbon In diethylene glycol dimethyl ether; water; nitrobenzene; benzene	100%

: 607-00-1
diphenylformamide

: 122-39-4
diphenylamine

Conditions

Conditions	Yield
With tetra(n-butyl)ammonium hydroxide In tetrahydrofuran; water for 0.166667h; Ambient temperature;	100%
With potassium phosphate; C29H55FeNOP2; hydrogen In tetrahydrofuran at 110℃; under 15001.5 Torr; for 3h; Catalytic behavior;	99%
With C18H37ClMoNO2P2; hydrogen; sodium triethylborohydride In tetrahydrofuran; toluene at 100℃; under 37503.8 Torr; for 24h; Autoclave; Glovebox;	86%
With [bis({2‐[bis(propan‐2‐yl)phosphanyl]ethyl})amide](carbonyl)(hydride)iron(II); hydrogen In tetrahydrofuran at 100℃; under 22801.5 Torr; for 4h; Catalytic behavior;

: 591-50-4
iodobenzene

: 62-53-3
aniline

: 122-39-4
diphenylamine

Conditions

Conditions	Yield
[1,3-{bis-N-(N-methylimidazolylidene)methyl}-5-methylbenzenecopper dibromide]; caesium carbonate at 170℃; for 12h; Conversion of starting material;	100%
[(N,N-dipyridyl-imidazolylidene)copper dibromide]; caesium carbonate at 170℃; for 12h; Conversion of starting material;	100%
With C31H26N4PPdS(1+)*Cl(1-); sodium t-butanolate In toluene at 95℃; for 10h; Catalytic behavior;	100%

: 62-53-3
aniline

: 98-80-6
phenylboronic acid

: 122-39-4
diphenylamine

Conditions

Conditions	Yield
With 2,6-dimethylpyridine; fac-tris(2-phenylpyridinato-N,C2')iridium(III); copper diacetate; n-tetradecanoic acid In toluene; acetonitrile at 35℃; for 20h; Chan-Lam Coupling; Irradiation;	100%
With copper diacetate; potassium carbonate; benzoic acid In ethyl acetate at 80℃; for 4h; air;	98%
With potassium carbonate In water at 20℃; Reagent/catalyst; Solvent;	95%

: diphenyl-carbamic acid allyl ester

: 122-39-4
diphenylamine

Conditions

Conditions	Yield
With aminomethyl resin-supported N-propylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran at 20℃; for 1h;	100%

1N-NaOH: 1N-NaOH

: 1132-38-3
N-cyclohexylidenebenzenamine

: 122-39-4
diphenylamine

Conditions

Conditions	Yield
palladium-carbon In diethylene glycol dimethyl ether; water; nitrobenzene; benzene	100%
palladium-carbon In diethylene glycol dimethyl ether; water; nitrobenzene; benzene	100%
palladium-carbon In water; nitrobenzene; benzene	99.4%
palladium-carbon In water; nitrobenzene; benzene	99.4%

: 1321455-60-0
1-tert-butyl-1,1-dimethyl-N,N-diphenylsilanamine

: 122-39-4
diphenylamine

Conditions

Conditions	Yield
With silica gel In ethanol; water at 20℃; for 2h;	100%

: 62-53-3
aniline

: 100-58-3
phenylmagnesium bromide

A: 92-52-4
biphenyl

B: 122-39-4
diphenylamine

Conditions

Conditions	Yield
Stage #1: aniline With n-butyllithium; dichloro(N,N,N’,N‘-tetramethylethylenediamine)zinc In tetrahydrofuran; hexane at 0 - 20℃; for 0.5h; Inert atmosphere; Schlenk technique; Stage #2: phenylmagnesium bromide With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; bis(acetylacetonate)nickel(II); 1,2-dichloro-2-methylpropane In tetrahydrofuran; hexane at 0 - 20℃; for 3h; Inert atmosphere; Schlenk technique;	A n/a B 100%

Yield

Stage #1: aniline With n-butyllithium; dichloro(N,N,N’,N‘-tetramethylethylenediamine)zinc In tetrahydrofuran; hexane at 0 - 20℃; for 0.5h; Inert atmosphere; Schlenk technique;
Stage #2: phenylmagnesium bromide With 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; bis(acetylacetonate)nickel(II); 1,2-dichloro-2-methylpropane In tetrahydrofuran; hexane at 0 - 20℃; for 3h; Inert atmosphere; Schlenk technique;

A n/a
B 100%

...Expand

: 62-53-3
aniline

: 108-90-7
chlorobenzene

: 122-39-4
diphenylamine

Conditions

Conditions	Yield
With sodium t-butanolate; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride; Ni(PPh3)2(1-(p-acetylnaphthyl))Cl In 1,4-dioxane at 100℃;	99%
With bis(η3-allyl-μ-chloropalladium(II)); potassium tert-butylate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride In 1,4-dioxane at 100℃; for 1.5h; Inert atmosphere;	99%
With sodium t-butanolate In toluene at 110℃; Inert atmosphere; Glovebox; chemoselective reaction;	99%

Raw Materials

135-19-3

91-40-7

92-84-2

3989-43-3

4051-56-3

564-04-5

134414-84-9

591-50-4

Downstream Products

603-52-1

275-51-4

18343-40-3

5625-46-7

Total:80 Page 1 of 3 1 2 3 Next>>

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Chemistry

Molecule structure of Diphenylamine (CAS NO.122-39-4):

IUPAC Name: N-Phenylaniline
Molecular Weight: 169.22244 g/mol
Molecular Formula: C₁₂H₁₁N
Melting Point: 52 °C
Index of Refraction: 1.634
Molar Refractivity: 55.62 cm³
Molar Volume: 155.4 cm³
Surface Tension: 44 dyne/cm
Density: 1.088 g/cm³
Flash Point: 152.8 °C
Enthalpy of Vaporization: 54.22 kJ/mol
Boiling Point: 302 °C at 760 mmHg
Vapour Pressure: 0.00102 mmHg at 25 °C
Storage Temp.: 0-6 °C
Water Solubility: slightly soluble. 0.03 g/100 mL
XLogP3: 3.5
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Exact Mass: 169.089149
MonoIsotopic Mass: 169.089149
Topological Polar Surface Area: 12
Heavy Atom Count: 13
Canonical SMILES: C1=CC=C(C=C1)NC2=CC=CC=C2
InChI: InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
InChIKey: DMBHHRLKUKUOEG-UHFFFAOYSA-N
EINECS: 204-539-4
Product Categories: Intermediates of Dyes and Pigments;Organics;Bridged diphenylsPesticides&Metabolites;Alpha sort;DAlphabetic;ACS GradeNitrogen Compounds;C11 to C38;Essential Chemicals;Routine Reagents;Nitrogen Compounds;76/768/EEC Annex VIII;Bridged diphenylsAlphabetic;DIO - DIZCosmetics;Other AdditivesEuropean Community: ISO and DIN;Proposed Banning;Allergens;D;Fungicides;Pesticides;Amines;Aromatics;Chemical Class;Derivatization Reagents TLC;Nitrogen-containing compoundsTitration;Redox IndicatorsDerivatization Reagents TLC;TLC Reagents, D-F;Indicators;TLC Visualization Reagents (alphabetic sort);TLC Visualization Reagents (by application)

Uses

Diphenylamine (CAS NO.122-39-4) has anti-scald activity which protect the apple skin from the oxidation products of alpha-farnesene during storage. So Diphenylamine is used as a pre-or postharvest scald inhibitor for apples. The derivatives of Diphenylamine are useful in many ways. Ring-alkylated derivatives of diphenylamine are used as "antiozinates" in the manufacture of rubber products. The compound undergoes various cyclisaton reactions. It gives phenothiazine, a precursor to certain pharmaceuticals with sulfur.

Production

Diphenylamine is manufactured by the thermal deamination of aniline over oxide catalysts:
2 C₆H₅NH₂ → (C₆H₅)₂NH + NH₃

Toxicity Data With Reference

1.	orl-rat LD50:2 g/kg	GISAAA Gigiena i Sanitariya. 41 (5)(1976),21.
2.	orl-mus LD50:1750 mg/kg	GISAAA Gigiena i Sanitariya. 41 (5)(1976),21.
3.	orl-gpg LD50:300 mg/kg	FMCHA2 Farm Chemicals Handbook .(Meister Publishing,Willoughy, OH.: )1983,C85.

Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Safety Profile

Hazard Codes: Toxic T, Dangerous N, Flammable F
Risk Statements: 23/24/25-33-50/53-52/53-39/23/24/25-11
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R33:Danger of cumulative effects.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R39:Danger of very serious irreversible effects.
R11:Highly flammable.
Safety Statements: 28-36/37-45-60-61-28A-16-7
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37:Wear suitable protective clothing and gloves.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S60:This material and its container must be disposed of as hazardous waste.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S16:Keep away from sources of ignition.
S7:Keep container tightly closed.
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
RTECS: JJ7800000
F: 8-10-23
HazardClass: 6.1
PackingGroup: III
Poison by ingestion. Experimental teratogenic effects. Action similar to aniline but less severe. Combustible when exposed to heat or flame. Can react violently with hexachloromelamine or trichloromelamine. Can react with oxidizing materials. To fight fire, use CO₂, dry chemical. When heated to decomposition it emits highly toxic fumes of NO_x. See also ANILINE, AMINES, and AROMATIC AMINES.

Standards and Recommendations

OSHA PEL: TWA 10 mg/m³
ACGIH TLV: TWA 10 mg/m³; Not Classifiable as a Human Carcinogen

Analytical Methods

For occupational chemical analysis use OSHA: #22.

Specification

Diphenylamine (CAS NO.122-39-4) is also named as AI3-00781 ; Aniline, N-phenyl- ; Anilinobenzene ; Benzenamine, N-phenyl- ; Benzene, (phenylamino)- ; Benzene, anilino- ; Big Dipper ; C.I. 10355 ; CCRIS 4699 ; CI 10355 ; Caswell No. 398 ; DFA ; DPA (VAN) ; Deccoscald 282 ; Difenylamin ; Difenylamin [Czech] ; HSDB 1108 ; N,N-Diphenylamine ; N-Fenylanilin ; N-Fenylanilin [Czech] ; N-Phenylaniline ; N-Phenylbenzenamine ; NSC 215210 ; Naugalube 428L ; No-Scald ; No-Scald DPA 283 ; Phenylaniline ; Scaldip ; Shield DPA . Diphenylamine (CAS NO.122-39-4) is white crystals or powder with a pleasant odor. Dust may be explosive if mixed with air in critical proportions and in the presence of a source of ignition. Inhalation may irritate mucous membranes. Overexposure, including ingestion of solid or skin contact, may cause fast pulse, hypertension, and bladder trouble. Contact with dust irritates eyes. Diphenylamine discolors in light. It can react violently with hexachloromelamine and trichloromelamine. Diphenylamine is incompatible with strong oxidizing agents and strong acids. It is also incompatible with iron and silver salts. Diphenylamine reacts with nitrogen oxides.