3-Methyl-4-nitrophenol supplier

Name
3-Methyl-4-nitrophenol
EINECS 219-952-5
CAS No. 2581-34-2
Article Data77
CAS DataBase
Density 1.32 g/cm³
Solubility Soluble in water(1.34g/L).
Melting Point 125-130 °C(lit.)
Formula C₇H₇NO₃
Boiling Point 304.867 °C at 760 mmHg
Molecular Weight 153.137
Flash Point 140.047 °C
Transport Information UN 2446 6.1/PG 3
Appearance yellowish to beige crystalline powder
Safety 26-36/37-37/39-36
Risk Codes 20/21/22-36/37/38-22
Molecular Structure
Hazard Symbols Xn,Xi
Synonyms m-Cresol,4-nitro- (7CI,8CI);2-Nitro-5-hydroxytoluene;4-Nitro-3-methylphenol;5-Hydroxy-2-nitrotoluene;NSC 69190;p-Nitro-m-cresol;p-Nitro-m-methylphenol;
PSA 66.05000
LogP 2.13200

Synthetic route

: 108-39-4
3-methyl-phenol

: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With Vilsmeier reagent; potassium nitrate In neat (no solvent) at 100℃; under 1500.15 Torr; Reagent/catalyst; Temperature; Microwave irradiation;	92%
With potassium hydrogensulfate; potassium metaperiodate; sodium nitrite In water; acetonitrile at 30 - 35℃; for 15h; Reagent/catalyst; Solvent;	78%
With ferric nitrate; 1,3-di-n-butyl-imidazolium tetrafluoroborate at 30℃; for 1.5h;	76%

: 108-39-4
3-methyl-phenol

A: 700-38-9
2-nitro-5-methylphenol

B: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With silica supported Al(NO3)3*9H2O In acetone at 20℃; for 0.416667h; regioselective reaction;	A 87% B 5%
With tert.-butylnitrite In acetonitrile at 29.84℃; Kinetics; Solvent; Temperature;	A n/a B 80%
With 3-(ethoxycarbonyl)-1-(5-methyl-5-(nitrosooxy)hexyl)pyridin-1-ium bis(trifluoromethanesulfonyl)imide at 20℃; for 2h; Ionic liquid;	A 34% B 63%

: 54125-02-9
danishefsky's diene

: 112825-86-2
((Z)-1-Nitro-prop-1-ene-2-sulfinyl)-benzene

: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
In benzene at 25℃; for 24h;	73%

: 615-01-0
3-methyl-4-nitroso-phenol

: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With sodium hydroxide; dihydrogen peroxide In water at 25 - 40℃; for 3h;	58%
With nitric acid at 40℃;

: 108-39-4
3-methyl-phenol

A: 700-38-9
2-nitro-5-methylphenol

B: 2581-34-2
3-methyl-4-nitrophenol

C: 4920-77-8
3-methyl-2-nitrophenol

Conditions

Conditions	Yield
With Eu-Mo-modified montmorillonite HKSF; nitric acid In tetrahydrofuran at 20℃; for 12h;	A 25% B 53% C 9%
With Yb-Mo-modified montmorillonite HKSF; nitric acid In tetrahydrofuran at 20℃; for 12h;	A 26% B 52% C 13%
With nitro acetate; silica gel In chloroform at -20 - 20℃; Nitration;	A 50% B 20% C 30%

...Expand

: 13362-34-0
3-methyl-1,4-benzoquinone 4-oxime

: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With sodium hydroxide; dihydrogen peroxide

: 611-05-2
4-nitro-3-methylaniline

: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With sulfuric acid Diazotization.Kochen der Diazoniumsalz-Loesung nach erneutem Zusatz von H2SO4;

: 69745-35-3
2-methyl-4-methoxynitrosobenzene

: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With nitric acid at 40℃;

: 620-52-0
bis(m-cresyl) carbonate

: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at 12 - 15℃; zuletzt Behandeln bei 5grad, und Kochen des Reaktionsprodukts mit 10 prozentig. wss. Na2CO3-Loesung;

: 861774-24-5
3-hydroxy-6-nitro-toluene-4-sulfonic acid

: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With hydrogenchloride at 170℃; im Rohr;

: 591-09-3
nitro acetate

: 108-24-7
acetic anhydride

: 108-39-4
3-methyl-phenol

A: 700-38-9
2-nitro-5-methylphenol

B: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
at -5℃;

...Expand

: 591-09-3
nitro acetate

: 108-39-4
3-methyl-phenol

A: 700-38-9
2-nitro-5-methylphenol

B: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With acetic anhydride at -5℃;

...Expand

: 591-09-3
nitro acetate

: 108-39-4
3-methyl-phenol

: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With acetic anhydride at -5℃;

: 60-29-7
diethyl ether

: 108-39-4
3-methyl-phenol

: 110-46-3
isopentyl nitrite

: 2581-34-2
3-methyl-4-nitrophenol

...Expand

: 108-39-4
3-methyl-phenol

: 110-46-3
isopentyl nitrite

: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With diethyl ether

: 100-84-5
1-methoxy-3-methyl-benzene

: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With nitrosylsulfuric acid; acetic acid at 0℃;
Multi-step reaction with 2 steps 1: glacial acetic acid; nitrosylsulfuric acid / -15 - -10 °C 2: diluted aqueous HNO3 / 40 °C View Scheme

: 5367-32-8
5-methoxy-2-nitrotoluene

: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With sodium hydroxide; tert-butyl alcohol In water Quantum yield; Irradiation;

: 108-39-4
3-methyl-phenol

A: 700-38-9
2-nitro-5-methylphenol

B: 2581-34-2
3-methyl-4-nitrophenol

C: 4920-77-8
3-methyl-2-nitrophenol

D: 553-97-9
2-Methyl-1,4-benzoquinone

Conditions

Conditions	Yield
With hydrogenchloride; sodium nitrate; sulfuric acid; sodium nitrite In diethyl ether for 0.133333h; Title compound not separated from byproducts;	A 27.9 % Chromat. B 41.0 % Chromat. C 22.5 % Chromat. D 7.3 % Chromat.
With hydrogenchloride; sodium nitrate; sulfuric acid; sodium nitrite In diethyl ether for 0.133333h; Product distribution; two phase nitration of 3-substituted phenols with or without NaNO2 and urea;	A 27.9 % Chromat. B 41.0 % Chromat. C 22.5 % Chromat. D 7.3 % Chromat.
With sulfuric acid; nitric acid; sodium nitrite In diethyl ether Mechanism; Product distribution; 2-phase nitration; further 3-alkylphenoles;
With hydrogenchloride; sodium nitrate; sulfuric acid; sodium nitrite In diethyl ether for 0.133333h; Title compound not separated from byproducts;	A 27.9 % Chromat. B 41.0 % Chromat. C 22.5 % Chromat. D 7.3 % Chromat.

...Expand

: 100-19-6
(4-nitrophenyl)ethanone

: 58864-63-4
3-Methyl-4-nitro-phenol

A: 2581-34-2
3-methyl-4-nitrophenol

B: 100-19-6
p-nitroacetophenone anion radical

Conditions

Conditions	Yield
In water; isopropyl alcohol Rate constant; Thermodynamic data; Irradiation; electron transfer reaction ΔE exc.;

...Expand

: N,N,N',N'-Tetramethyl-acridine-3,6-diamine; compound with 3-methyl-4-nitro-phenol

A: 2581-34-2
3-methyl-4-nitrophenol

B: 494-38-2
acridine orange

C: N,N,N',N'-Tetramethyl-acridine-3,6-diamine; compound with 3-methyl-4-nitro-phenol

Conditions

Conditions	Yield
In benzonitrile at 25℃; Equilibrium constant; ionic strength 0.1 M (var.);

...Expand

: 563-04-2
tri-m-cresyl phosphate

: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With sulfuric acid; nitric acid

: 28177-48-2
2,6-difluorophenol

: Toluene-4-sulfonate1-methyl-4-(3-methyl-4-nitro-phenoxycarbonyl)-pyridinium;

A: 2581-34-2
3-methyl-4-nitrophenol

B: 4-(2,6-Difluoro-phenoxycarbonyl)-1-methyl-pyridinium

Conditions

Conditions	Yield
With 2,6-dimethylpyridine In water at 25℃; Rate constant;

...Expand

: 122-14-5
MEP

: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With sodium hydroxide; β‐cyclodextrin at 25℃; Kinetics; Further Variations:; Reagents; Hydrolysis;
With water; mercury dichloride In methanol at 25℃; pH=5.5; Kinetics; Further Variations:; pH-values; Hydrolysis;
With ethanol; sodium methylate; zinc trifluoromethanesulfonate at 25℃; Kinetics;

: 64-19-7
acetic acid

: 100-84-5
1-methoxy-3-methyl-benzene

nitrosylsulfuric acid: nitrosylsulfuric acid

: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
at 0 - 20℃;

...Expand

: 67-66-3
chloroform

: 7697-37-2
nitric acid

: 108-39-4
3-methyl-phenol

A: 700-38-9
2-nitro-5-methylphenol

B: 2581-34-2
3-methyl-4-nitrophenol

Conditions

Conditions	Yield
at 35℃;

...Expand

: 7697-37-2
nitric acid

: 64-19-7
acetic acid

: 108-39-4
3-methyl-phenol

A: 700-38-9
2-nitro-5-methylphenol

B: 2581-34-2
3-methyl-4-nitrophenol

...Expand

: 108-39-4
3-methyl-phenol

: 71-43-2
benzene

nitrogen dioxide: nitrogen dioxide

gasolyne: gasolyne

A: 2581-34-2
3-methyl-4-nitrophenol

B: 4920-77-8
3-methyl-2-nitrophenol

...Expand

: 7732-18-5
water

: 7697-37-2
nitric acid

: 108-39-4
3-methyl-phenol

A: 700-38-9
2-nitro-5-methylphenol

B: 2581-34-2
3-methyl-4-nitrophenol

C: 4920-77-8
3-methyl-2-nitrophenol

Conditions

Conditions	Yield
at 25℃;

...Expand

: 7697-37-2
nitric acid

: 64-19-7
acetic acid

: 108-39-4
3-methyl-phenol

A: 700-38-9
2-nitro-5-methylphenol

B: 2581-34-2
3-methyl-4-nitrophenol

C: 4920-77-8
3-methyl-2-nitrophenol

...Expand

: 108-39-4
3-methyl-phenol

: 71-43-2
benzene

N2O3: N2O3

A: 700-38-9
2-nitro-5-methylphenol

B: 2581-34-2
3-methyl-4-nitrophenol

C: 4920-77-8
3-methyl-2-nitrophenol

...Expand

: 2581-34-2
3-methyl-4-nitrophenol

: 108-24-7
acetic anhydride

: 79139-40-5
3-methyl-4-nitrophenyl acetate

Conditions

Conditions	Yield
With magnesium(II) perchlorate at 80℃; for 0.5h;	100%

: 556-56-9
allyl iodid

: 2581-34-2
3-methyl-4-nitrophenol

: 120106-18-5
4-(allyloxy)-2-methyl-1-nitrobenzene

Conditions

Conditions	Yield
With caesium carbonate In acetone for 24h; Ambient temperature;	99%

: 2581-34-2
3-methyl-4-nitrophenol

: 100-39-0
benzyl bromide

: 22424-58-4
5-benzyloxy-2-nitrotoluene

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 16h;	99%
With potassium carbonate In acetone for 5h; Heating;	99%
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 2h;	91%

: 2581-34-2
3-methyl-4-nitrophenol

: 556809-41-7
9-(3-iodopropyl)anthracene

: 556809-42-8
9-[3-(3-methyl-4-nitrophenoxy)propyl]anthracene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 2h;	99%

: 2581-34-2
3-methyl-4-nitrophenol

: 106-94-5
propyl bromide

: 52177-07-8
2-methyl-4-propoxy-1-nitrobenzene

Conditions

Conditions	Yield
Stage #1: 3-methyl-4-nitrophenol With potassium carbonate In butanone for 0.0833333h; Inert atmosphere; Reflux; Stage #2: propyl bromide In butanone for 18h; Inert atmosphere;	99%

: 109-65-9
1-bromo-butane

: 2581-34-2
3-methyl-4-nitrophenol

: 4-butoxy-2-methyl-1-nitrobenzene

Conditions

Conditions	Yield
Stage #1: 3-methyl-4-nitrophenol With potassium carbonate In butanone for 0.0833333h; Inert atmosphere; Reflux; Stage #2: 1-bromo-butane In butanone for 18h; Inert atmosphere;	99%

: 2581-34-2
3-methyl-4-nitrophenol

: 14401-03-7
2,6-dibromo-3-methyl-4-nitro-phenol

Conditions

Conditions	Yield
With benzyltrimethylammonium tribromide; calcium carbonate In methanol; dichloromethane	98%
With benzyltrimethylammonium tribromide; calcium carbonate In methanol; dichloromethane at 0 - 20℃; for 0.5 - 0.666667h;	93%
durch Bromieren;
With bromine; acetic acid at 15 - 20℃;

: 2581-34-2
3-methyl-4-nitrophenol

: 75-26-3
isopropyl bromide

: 52177-08-9
4-isopropoxy-2-methyl-1-nitrobenzene

Conditions

Conditions	Yield
Stage #1: 3-methyl-4-nitrophenol With potassium carbonate In butanone for 0.0833333h; Inert atmosphere; Reflux; Stage #2: isopropyl bromide In butanone for 18h; Inert atmosphere;	98%
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 22h; Inert atmosphere;	96%
With potassium carbonate In acetone	58.5%
With potassium carbonate In acetone for 5h; Heating;

: 2581-34-2
3-methyl-4-nitrophenol

: 16420-13-6
N,N-Dimethylthiocarbamoyl chloride

: 83086-54-8
O-(3-methyl-4-nitrophenyl)dimethylcarbamothioate

Conditions

Conditions	Yield
Stage #1: 3-methyl-4-nitrophenol With 1,4-diaza-bicyclo[2.2.2]octane In 1-methyl-pyrrolidin-2-one at 50℃; Stage #2: N,N-Dimethylthiocarbamoyl chloride In 1-methyl-pyrrolidin-2-one at 50℃; for 2.5h;	98%

: 64-67-5
diethyl sulfate

: 2581-34-2
3-methyl-4-nitrophenol

: 52177-06-7
4-ethoxy-2-methyl-1-nitrobenzene

Conditions

Conditions	Yield
With potassium carbonate In butanone at 70℃; for 2h; Inert atmosphere;	97%
With alkaline solution
With potassium carbonate In butanone at 110℃; for 2h; Williamson Ether Synthesis; Inert atmosphere;

: 2581-34-2
3-methyl-4-nitrophenol

: 100-44-7
benzyl chloride

: 22424-58-4
5-benzyloxy-2-nitrotoluene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 1h;	97%
With potassium carbonate In N,N-dimethyl-formamide at 120℃; for 2h;	93%
With ethanol; sodium ethanolate
With sodium hydroxide
With sodium hydroxide In ethanol; water

: 2581-34-2
3-methyl-4-nitrophenol

: 25755-15-1
2,6-diiodo-3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With sodium hydrogencarbonate; N,N,N-trimethylbenzenemethanaminium dichloroiodate In methanol; dichloromethane for 6h; Ambient temperature;	95%

: 2581-34-2
3-methyl-4-nitrophenol

: 106-95-6
allyl bromide

: 120106-18-5
4-(allyloxy)-2-methyl-1-nitrobenzene

Conditions

Conditions	Yield
With potassium carbonate In acetone for 6h; Heating;	93%
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 12h; Inert atmosphere;

: 2581-34-2
3-methyl-4-nitrophenol

: 5367-32-8
5-methoxy-2-nitrotoluene

Conditions

Conditions	Yield
	93%
(methylation);

: 2581-34-2
3-methyl-4-nitrophenol

: 584-08-7
potassium carbonate

: 75-03-6
ethyl iodide

: 52177-06-7
4-ethoxy-2-methyl-1-nitrobenzene

Conditions

Conditions	Yield
In ethyl acetate; butanone	93%

...Expand

: 1193-21-1
4,6-dichloropyrimidine

: 2581-34-2
3-methyl-4-nitrophenol

: 1231749-99-7
4-chloro-6-(3-methyl-4-nitrophenoxy)pyrimidine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 2h;	93%
Stage #1: 3-methyl-4-nitrophenol With potassium carbonate In acetonitrile at 20℃; for 0.166667h; Stage #2: 4,6-dichloropyrimidine In acetonitrile Reflux;	62%

: 2581-34-2
3-methyl-4-nitrophenol

: 143-15-7
1-dodecylbromide

: C19H31NO3

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 23h;	92.9%

: 2581-34-2
3-methyl-4-nitrophenol

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

: 135983-09-4
Diethyl-carbamic acid 3-methyl-4-nitro-phenyl ester

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide	92%

: 2581-34-2
3-methyl-4-nitrophenol

: 115314-14-2
(2s)-(+)-glycidyl 3-nitrobenzenesulfonate

: 250778-99-5
(S)-glycidyl 3-methyl-4-nitrophenyl ether

Conditions

Conditions	Yield
Stage #1: 3-methyl-4-nitrophenol With cesium fluoride In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: (2s)-(+)-glycidyl 3-nitrobenzenesulfonate In N,N-dimethyl-formamide at 20℃; for 24h;	92%

: 2581-34-2
3-methyl-4-nitrophenol

: 102-47-6
3,4-Dichlorophenylmethyl chloride

: 1335101-86-4
1,2-dichloro-4-[(3-methyl-4-nitrophenoxy)methyl]benzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 50 - 100℃;	91%

: 2581-34-2
3-methyl-4-nitrophenol

: 383-50-6
2-fluoroethyl tosylate

: 132837-96-8
4-(2-fluoroethoxy)-2-methyl-1-nitrobenzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 3h;	91%

: 2581-34-2
3-methyl-4-nitrophenol

: 37693-15-5
2,6-dichloro-3-methyl-4-nitrophenol

Conditions

Conditions	Yield
With sulfuryl dichloride In acetic acid at 90℃; for 3h;	90%
With benzyltrimethylazanium tetrachloro-λ3-iodanuide In acetic acid at 70℃; for 18h;	70%
With benzyltrimethylazanium tetrachloro-λ3-iodanuide; acetic acid at 70℃; for 18h;	64%
With hydrogenchloride; potassium chlorate
With chlorine; acetic acid

: 50-00-0
formaldehyd

: 2581-34-2
3-methyl-4-nitrophenol

: 109-89-7
diethylamine

: 133394-06-6
2,6-bis(diethylaminomethyl)-3-methyl-4-nitrophenol

Conditions

Conditions	Yield
In ethanol at 90 - 95℃; for 65h;	90%

...Expand

: 2581-34-2
3-methyl-4-nitrophenol

: 2524-64-3
chlorophosphoric acid diphenyl ester

: 176842-49-2
Phosphoric acid 3-methyl-4-nitro-phenyl ester diphenyl ester

Conditions

Conditions	Yield
With triethylamine In diethyl ether at 25℃; for 4h;	90%

: 2581-34-2
3-methyl-4-nitrophenol

: 51356-03-7
4,5-dichloro-2-chloromethyl-pyridazin-3(2H)-one

: 1174278-29-5
4-chloro-5-(3-methyl-4-nitrophenoxy)-2-[(3-methyl-4-nitrophenoxy)methyl]pyridazin-3(2H)-ome

Conditions

Conditions	Yield
With potassium carbonate In methanol for 0.333333h; Reflux;	90%

: 2581-34-2
3-methyl-4-nitrophenol

: dimethyl 2-((fluoromethyl)(phenyl)-l4-sulfaneylidene)malonate

: 4-(fluoromethoxy)-2-methyl-1-nitrobenzene

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 40℃; for 0.5h; Schlenk technique; Inert atmosphere;	90%

: 2581-34-2
3-methyl-4-nitrophenol

: 4-fluoro-1-nitro-2-(prop-2-yn-1-yloxy)benzene

: 2-methyl-1-nitro-4-(4-nitro-3-(2-propyn-1-oxy)phenoxy)benzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 3h;	90%

: 2581-34-2
3-methyl-4-nitrophenol

: 4399-47-7
Bromocyclobutane

: 4-cyclobutoxy-2-methyl-1-nitrobenzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 90℃; for 14h; Inert atmosphere;	89%

: 2581-34-2
3-methyl-4-nitrophenol

: 109384-19-2
t-butyl 4-hydroxy piperidine-1-carboxylate

: 138227-74-4
1-tert-butyloxycarbonyl-4-(4-nitro-3-methylphenyloxy)piperidine

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0℃; for 1h;	88%

3-Methyl-4-nitrophenol Consensus Reports

4-NITRO-m-CRESOL is reported in EPA TSCA Inventory.

3-Methyl-4-nitrophenol Specification

The 3-Methyl-4-nitrophenol, with the CAS registry number 2581-34-2, is also known as 4-Nitro-3-cresol. It belongs to the product categories of Aromatic Phenols; Phenoles and Thiophenoles. Its EINECS registry number is 219-952-5. This chemical's molecular formula is C₇H₇NO₃ and molecular weight is 153.14. What's more, both its IUPAC name and systematic name are the same which is called 3-Methyl-4-nitrophenol. It should be stored in a cool, dry and well-ventilated place.

Physical properties about 3-Methyl-4-nitrophenol are: (1)ACD/LogP: 2.097; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 1.79; (5)ACD/BCF (pH 5.5): 22.82; (6)ACD/BCF (pH 7.4): 11.38; (7)ACD/KOC (pH 5.5): 325.33; (8)ACD/KOC (pH 7.4): 162.21; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.05 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 39.505 cm³; (15)Molar Volume: 115.98 cm³; (16)Polarizability: 15.661×10^-24cm³; (17)Surface Tension: 54.70 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 140.047 °C; (20)Enthalpy of Vaporization: 56.705 kJ/mol; (21)Boiling Point: 304.867 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 3-Methyl-4-nitrophenol: this chemical can be prepared by 3-Methyl-4-nitroso-phenol. This reaction needs reagents H₂O₂, NaOH and solvent H₂O at temperature of 25 - 40 °C. The reaction time is 3 hours. The yield is 58 %.

3-Methyl-4-nitrophenol can be prepared by 3-Methyl-4-nitroso-phenol.

Uses of 3-Methyl-4-nitrophenol: (1) it is used as pharmaceutical intermediates and pesticides; (2) it is used to produce other chemicals. For example, it can react with chloromethyl-benzene to get benzyl-(3-methyl-4-nitro-phenyl)-ether. The reaction occurs with reagent K₂CO₃ and solvent dimethylformamide at temperature of 120 °C. The reaction time is 2 hours. The yield is 93 %.

4-Nitro-m-creso can react with chloromethyl-benzene to get benzyl-(3-methyl-4-nitro-phenyl)-ether.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system. It may cause damage to health by inhalation, in contacting with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1c(cc(O)cc1)C
(2) InChI: InChI=1S/C7H7NO3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3
(3) InChIKey: PIIZYNQECPTVEO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intracrebral	15mg/kg (15mg/kg)	Pesticide Biochemistry and Physiology. Vol. 8, Pg. 302, 1978.
mouse	LD50	intraperitoneal	90mg/kg (90mg/kg)	Pesticide Biochemistry and Physiology. Vol. 8, Pg. 302, 1978.
rat	LD50	oral	1200mg/kg (1200mg/kg)	Journal of Agricultural and Food Chemistry. Vol. 27, Pg. 1054, 1979.

Product Name

3-Methyl-4-nitrophenol

Synthetic route

3-Methyl-4-nitrophenol Consensus Reports

3-Methyl-4-nitrophenol Specification

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