Conditions | Yield |
---|---|
With hydrogen; montmorillonitesilylaminepalladium(II) In ethanol for 0.166667h; Ambient temperature; | 98% |
With formic acid; triethylamine; palladium on activated charcoal at 100℃; for 1h; | 92% |
With hydrazine hydrate at 90℃; for 16h; | 92% |
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid | 95% |
With sodium nitrate; sulfuric acid at 0 - 5℃; for 3h; | 93% |
Stage #1: p-toluidine With sulfuric acid; uronium nitrate at 0 - 10℃; for 0.5h; Stage #2: With sodium hydroxide pH=~ 12; | 88% |
Conditions | Yield |
---|---|
With carbon monoxide; hydrogen sulfide; iron(III) oxide at 325℃; for 17.5h; Product distribution; Mechanism; | A 94.8% B 5.12% |
Conditions | Yield |
---|---|
With nickel; hydrazine hydrate In ethanol; 1,2-dichloro-ethane at 50 - 60℃; for 4h; | A 88% B 10% |
With baker's yeast In ethanol; water at 32℃; for 96h; | A 22% B 22% |
With ammonium sulfide; ethanol |
Conditions | Yield |
---|---|
With perchloric acid; acetic acid for 1h; Heating; | 70% |
2,4-dinitrotoluene
A
4-Methyl-3-nitroanilin
B
2,2'-Dinitro-4,4'-azoxytoluene
Conditions | Yield |
---|---|
With pyridine; hydrogen sulfide |
Conditions | Yield |
---|---|
With sodium polysulfide |
4-hydroxylamino-2-nitrotoluene
4-Methyl-3-nitroanilin
Conditions | Yield |
---|---|
With sodium hydrogensulfide | |
With sodium sulfide; sodium 2-mercaptoacetate In aq. phosphate buffer at 40℃; for 0.25h; pH=9; |
Conditions | Yield |
---|---|
With hydrogenchloride Hydrogenation; |
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid wendet man viel Schwefelsaeure an, so entsteht nur 2-Nitro-4-amino-toluol; | |
With sulfuric acid; nitric acid |
2,4-dinitrotoluene
A
4-hydroxylamino-2-nitrotoluene
B
4-methylbenzene-1,3-diamine
C
2-hydroxylamino-4-nitrotoluene
D
4-Methyl-3-nitroanilin
E
2-methyl-5-nitroaniline
Conditions | Yield |
---|---|
With cecal microflora of rats Product distribution; under anaerobic conditions; |
2,4-dinitrotoluene
A
4-methylbenzene-1,3-diamine
B
2,4-dinitrobenzyl alcohol
C
4-Methyl-3-nitroanilin
D
2-methyl-5-nitroaniline
Conditions | Yield |
---|---|
Product distribution; studies of the metabolism in wistar strain rats, primary metabolits; |
2,4-dinitrotoluene
A
4-methylbenzene-1,3-diamine
B
4-Methyl-3-nitroanilin
C
2-methyl-5-nitroaniline
Conditions | Yield |
---|---|
With Pd-Fe; hydrogen; silica gel In ethanol at 25℃; under 760 Torr; Rate constant; Product distribution; var. Pd/Fe ratio; | |
In phosphate buffer pH=2; Electrochemical reaction; | |
With hydrogen; [Pd-PVP] - poly(vinylpyrrolidone) protected palladium In dichloromethane; water at 40℃; under 5250.53 Torr; Product distribution; | |
With hydrogen In ethanol at 120℃; under 3750.38 Torr; |
2-p-tolylisoindoline-1,3-dione
nitric acid
A
4-Methyl-3-nitroanilin
B
4-methyl-2-nitroaniline
Conditions | Yield |
---|---|
und Kochen der entstandenen Nitro-Verbindungen mit 2n-Natronlauge; |
sulfuric acid
nitric acid
p-toluidine
A
4-Methyl-3-nitroanilin
B
4-methyl-2-nitroaniline
Conditions | Yield |
---|---|
at 180 - 185℃; |
ethanol
2,4-dinitrotoluene
hydrazine hydrate
4-Methyl-3-nitroanilin
Conditions | Yield |
---|---|
in der Kaelte; |
Conditions | Yield |
---|---|
bei der elektrolytischen Reduktion; |
Conditions | Yield |
---|---|
Hydrogenation; |
4-hydroxylamino-2-nitrotoluene
4-Methyl-3-nitroanilin
Conditions | Yield |
---|---|
in der Hitze; |
hydrogenchloride
2,4-dinitrotoluene
sulfuric acid
A
4-Methyl-3-nitroanilin
B
2-methyl-5-nitroaniline
hydrogenchloride
2,4-dinitrotoluene
acetic acid
A
4-Methyl-3-nitroanilin
B
2-methyl-5-nitroaniline
sulfuric acid
4-hydroxylamino-2-nitrotoluene
A
4-Methyl-3-nitroanilin
B
2,2'-Dinitro-4,4'-azoxytoluene
3-(Trifluoromethyl)benzoyl chloride
4-Methyl-3-nitroanilin
N-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)benzamide
Conditions | Yield |
---|---|
Stage #1: 3-(Trifluoromethyl)benzoyl chloride; 4-Methyl-3-nitroanilin With triethylamine In dichloromethane at 25℃; for 0.333333h; Stage #2: With water In dichloromethane for 0.25h; | 100% |
With triethylamine In dichloromethane at 25℃; for 0.333333h; | 100% |
With triethylamine In dichloromethane at 25℃; for 0.333333h; | 100% |
n-propanesulfonyl chloride
4-Methyl-3-nitroanilin
N-(4-methyl-3-nitrophenyl)-N-(propylsulfonyl)propane-1-sulfonamide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 2h; | 100% |
With triethylamine In dichloromethane at 0 - 20℃; | 100% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 4℃; | 100% |
2-chloropyridine-4-carbonyl chloride
4-Methyl-3-nitroanilin
2-chloro-N-(4-methyl-3-nitrophenyl) pyridine-4-carboxamide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 2h; | 99.6% |
With triethylamine In dichloromethane at 20℃; for 16h; | |
With triethylamine In dichloromethane at 20℃; for 16h; |
di-tert-butyl dicarbonate
4-Methyl-3-nitroanilin
(4-methyl-3-nitro-phenyl)-carbamic acid tert-butyl ester
Conditions | Yield |
---|---|
In tetrahydrofuran Reflux; | 99% |
In tetrahydrofuran at 70℃; for 15.5h; | 89% |
In tetrahydrofuran at 65℃; for 16.3333h; | 89% |
2-chloro-benzaldehyde
4-Methyl-3-nitroanilin
4-(2-chlorobenzylideneamino)-2-nitrotoluene
Conditions | Yield |
---|---|
In ethanol for 5h; | 98% |
4-Methyl-3-nitroanilin
N-phenylsulfonylbenzimidoyl chloride
N-[1-(4-Methyl-3-nitro-phenylamino)-1-phenyl-meth-(E)-ylidene]-benzenesulfonamide
Conditions | Yield |
---|---|
In acetonitrile at 25℃; Product distribution; Rate constant; Mechanism; | 98% |
In acetonitrile at 25℃; | 98% |
Conditions | Yield |
---|---|
at 20 - 162℃; for 0.0833333h; microwave irradiation; | 98% |
phenyl 2-hydroxy-4-methoxybenzoate
4-Methyl-3-nitroanilin
Conditions | Yield |
---|---|
at 20 - 154℃; for 0.0666667h; microwave irradiation; | 98% |
2,3-dihydro-1,4-benzodioxin-6-carboxylic acid
4-Methyl-3-nitroanilin
N-(4-methyl-3-nitrophenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
Conditions | Yield |
---|---|
Stage #1: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 20℃; for 3.5h; Stage #2: 4-Methyl-3-nitroanilin With pyridine In dichloromethane; N,N-dimethyl-formamide at 20℃; for 2h; | 98% |
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine In N,N-dimethyl-formamide at 90℃; for 20h; |
2,3-dihydro-1,4-benzodioxine-6-carbonyl chloride
4-Methyl-3-nitroanilin
N-(4-methyl-3-nitrophenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 20℃; for 2h; | 98% |
(fluorenylmethoxy)carbonyl chloride
4-Methyl-3-nitroanilin
Conditions | Yield |
---|---|
With sodium carbonate In 1,4-dioxane; water at 5 - 30℃; for 2.75h; | 98% |
N-methyl benzimidoyl chloride
4-Methyl-3-nitroanilin
N-Methyl-N'-(4-methyl-3-nitro-phenyl)-benzamidine; hydrochloride
Conditions | Yield |
---|---|
In acetonitrile at 25℃; Product distribution; Rate constant; Mechanism; other solvent; | 97% |
N-methyl benzimidoyl chloride
4-Methyl-3-nitroanilin
N-Methyl-N'-(4-methyl-3-nitro-phenyl)-benzamidine
Conditions | Yield |
---|---|
In acetonitrile at 25℃; | 97% |
3-(4-methyl-imidazol-1-yl)-5-trifluoromethylbenzoic acid
4-Methyl-3-nitroanilin
N-(3-nitro-4-methylphenyl)-3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)benzamide
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine; HATU In N,N-dimethyl-formamide at 20℃; for 12h; Product distribution / selectivity; | 97% |
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 25℃; for 12h; Inert atmosphere; Schlenk technique; | 64% |
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 25℃; for 12h; Inert atmosphere; Schlenk technique; | 64% |
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; for 1h; | 96.6% |
4-Methyl-3-nitroanilin
N-(3'-Amino-4'-methylphenyl)-2,3-dimethyl-maleimide
Conditions | Yield |
---|---|
In methanol | 96% |
4-Methyl-3-nitroanilin
Conditions | Yield |
---|---|
With pyridine In toluene at 23 - 45℃; for 6.25h; | 96% |
Stage #1: 4-Methyl-3-nitroanilin With triethylamine In tetrahydrofuran at 20℃; Stage #2: 4-((4-methylpiperazin-1-yl)methyl)benzoyl chloride dihydrochloride In tetrahydrofuran at 0 - 50℃; for 17h; | 48% |
p-(chloromethyl)benzoic acid
4-Methyl-3-nitroanilin
4-(chloromethyl)-N-(4-methyl-3-nitrophenyl)benzamide
Conditions | Yield |
---|---|
Stage #1: p-(chloromethyl)benzoic acid With thionyl chloride; N,N-dimethyl-formamide at 80℃; for 4h; Inert atmosphere; Stage #2: 4-Methyl-3-nitroanilin With pyridine In tetrahydrofuran at 0 - 20℃; for 2h; Inert atmosphere; | 96% |
di-tert-butyl dicarbonate
4-Methyl-3-nitroanilin
N,N-bis<(tert-butyloxy)carbonyl>-4-methyl-3-nitroaniline
Conditions | Yield |
---|---|
With dmap In acetonitrile for 18h; Ambient temperature; | 95% |
With dmap; TEA In acetonitrile at 20℃; for 20h; | 65% |
With dmap In acetonitrile | 33.0 g (95%) |
Conditions | Yield |
---|---|
With pyridine In tetrahydrofuran at 0 - 20℃; for 3h; | 94% |
Conditions | Yield |
---|---|
Stage #1: formaldehyd; Benzene-1,2-dithiol In chloroform; water at 20℃; for 0.5h; Stage #2: 4-Methyl-3-nitroanilin In chloroform; water at 0 - 20℃; for 4h; | 94% |
cyclopropanecarboxylic acid chloride
4-Methyl-3-nitroanilin
N-(4-methyl-3-nitrophenyl)cyclopropanecarboxamide
Conditions | Yield |
---|---|
Stage #1: 4-Methyl-3-nitroanilin With sodium hydride In tetrahydrofuran at 20℃; Inert atmosphere; Stage #2: cyclopropanecarboxylic acid chloride In tetrahydrofuran at 0℃; for 0.5h; Inert atmosphere; | 93.68% |
benzoyl chloride
4-Methyl-3-nitroanilin
N-(4-methyl-3-nitrophenyl)benzamide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 2h; | 93% |
With pyridine |
4-Methyl-3-nitroanilin
6-(trifluoromethyl)pyridine-3-carbaldehyde
Conditions | Yield |
---|---|
With triethylsilane; trifluoroacetic acid In acetonitrile at 70℃; for 2h; Inert atmosphere; | 93% |
Conditions | Yield |
---|---|
at 130℃; for 8h; Gould-Jacobs reaction; Inert atmosphere; | 92% |
2,3-dihydrobenzo-[b]-1,4-dioxine-5-carbonyl chloride
4-Methyl-3-nitroanilin
Conditions | Yield |
---|---|
With pyridine In dichloromethane at 20℃; | 92% |
Product Name: 4-Methyl-3-nitroaniline (CAS NO.119-32-4)
Molecular Formula: C7H8N2O2
Molar mass: 152.15062g/mol
Density: 1.269 g/cm3
Flash Point: 138.9 °C
Boiling Point: 306.1 °C at 760 mmHg
Index of Refraction: 1.615
Vapour Pressure: 0.000788 mmHg at 25°C
Melting point: 74-78°C
Index of Refraction: 1.615 Molar Refractivity: 41.85 cm3
Molar Volume: 119.8 cm3
XLogP3-AA: 1.7
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of 4-Methyl-3-nitroaniline (CAS NO.119-32-4):
IUPAC Name: 4-methyl-3-nitroaniline
Canonical SMILES: CC1=C(C=C(C=C1)N)[N+](=O)[O-]
InChI: InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3
InChIKey: GDIIPKWHAQGCJF-UHFFFAOYSA-N
Product Categories: Intermediates of Dyes and Pigments; Anilines, Aromatic Amines and Nitro Compounds; Aromatics Compounds; Aromatics
4-Methyl-3-nitroaniline (CAS NO.119-32-4) can be used as intermediates in organic synthesis.
1. | orl-rat LD50:6860 mg/kg | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,133. | ||
2. | ivn-mus LD50:180 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#04522 . | ||
3. | orl-bwd LD50:3 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 21 (1972),315. |
Reported in EPA TSCA Inventory.
Poison by ingestion and intravenous routes. Combustible when exposed to heat or flame. To fight fire, use CO2, spray, foam. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
Safety Information of 4-Methyl-3-nitroaniline (CAS NO.119-32-4):
Hazard Codes:T,N,Xi
Risk Statements:
23: Toxic by inhalation
24: Toxic in contact with skin
25: Toxic if swallowed
33: Danger of cumulative effects
51: Toxic to aquatic organisms
53: May cause long-term adverse effects in the aquatic environment
Safety Statements:
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
36: Wear suitable protective clothing
37: Wear suitable gloves
45: In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
61: Avoid release to the environment. Refer to special instructions safety data sheet
RIDADR: UN 2660 6.1/PG 3
WGK Germany: 2
RTECS: XU8227250
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III
4-Methyl-3-nitroaniline , its CAS NO. is 119-32-4, the synonyms are 4-Amino-2-nitrotoluene ; p-Toluidine, 3-nitro-;2-Nitro-4-aminotoluene ; 5-Nitro-4-toluidine ; 3-Nitro-p-toluidine ; m-Nitro-p-toluidine;3-Nitro-4-methylaniline ; GL-Amin [Czech] .
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