3-Nitrotoluene supplier | CasNO.99-08-1

Name
m-Nitrotoluene
EINECS 202-728-6
CAS No. 99-08-1
Article Data180
CAS DataBase
Density 1.167 g/cm³
Solubility insoluble in water, soluble in benzene
Melting Point 15 °C
Formula C₇H₇NO₂
Boiling Point 221.999 °C at 760 mmHg
Molecular Weight 137.138
Flash Point 106.111 °C
Transport Information UN 1664 6.1/PG 2
Appearance yellow-green liquid
Safety 36/37-45-61-37-28A-27-16
Risk Codes 23/24/25-33-51/53-36/37/38-11
Molecular Structure
Hazard Symbols T,F
Synonyms 1-Methyl-3-nitrobenzene;3-Methylnitrobenzene;m-Nitrophenylmethane;m-Nitrotoluol;
PSA 45.82000
LogP 2.42640

Synthetic route

: 3958-57-4
1-bromomethyl-3-nitrobenzene

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With sodium tetrahydroborate; sodium hydroxide In water at 60℃; for 1.5h; pH=12; Reagent/catalyst; Green chemistry;	99%
With diethylzinc; tetrakis(triphenylphosphine) palladium(0) In hexane; N,N-dimethyl-formamide at 25℃; for 1h;	63%
With lithium aluminium tetrahydride In diethyl ether at 0℃; for 1.5h;	72 % Turnov.

: 17933-03-8
m-tolylboronic acid

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With dipotassium peroxodisulfate; bismuth (III) nitrate pentahydrate In toluene at 80℃; for 12h; Inert atmosphere;	96%
With N-Bromosuccinimide; [bis(trifluoroacetoxy)iodo]benzene; sodium nitrite In acetonitrile at 20℃; for 3h; Solvent; regioselective reaction;	93%
With pyridine; copper(I) oxide; sodium nitrite In acetonitrile at 20℃;	78%

: 108-44-1
1-amino-3-methylbenzene

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With 1,9-diperoxynonanedioic acid In acetonitrile at 50℃; for 0.5h;	95%
With dihydrogen peroxide; acetonitrile In aq. buffer at 20℃; for 1h; pH=11; Green chemistry;	88%
With sodium perborate tetrahydrate; cetyltrimethylammonim bromide In water at 60℃; for 12h; silica gel; Micellar solution; Green chemistry; regioselective reaction;	53%
With sulfuric acid Diazotization.Behandlung der neutralisierten Diazoniumsalz-Loesung mit NaNO2 und Kupfer(I)-kupfer(II)-sulfit;
With sulfuric acid Diazotization.Behandlung der neutralisierten Diazoniumsalz-Loesung mit NaNO2, CuSO4 und Cu2O;

: C12H9N3O6S2

: 594-27-4
tetramethylstannane

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
palladium diacetate In tetrahydrofuran at 40℃; for 0.25h;	90%

: 13506-76-8
2-methyl-6-nitrobenzoic acid

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With silver carbonate In dimethyl sulfoxide at 120℃; for 16h;	86%
With silver carbonate In dimethyl sulfoxide at 120℃;
Multi-step reaction with 3 steps 1.1: sodium hydroxide / tetrahydrofuran; water / 0.17 h / Darkness 1.2: 0.08 h / Darkness 2.1: acetonitrile / 0.08 h / Darkness 3.1: water / d7-N,N-dimethylformamide / 2 h / 100 °C / Inert atmosphere; Glovebox; Sealed tube; Darkness View Scheme

: 108-88-3
toluene

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With nitric acid; sodium dodecyl-sulfate In acetonitrile at 24.84℃; for 3h; Micellar solution; regioselective reaction;	85%

: 27329-27-7
4-methyl-2-nitrobenzoic acid

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With copper(l) iodide; triethylamine In dimethyl sulfoxide at 120℃; under 760.051 Torr; for 20h; Inert atmosphere; Schlenk technique;	85%
With 1-methyl-pyrrolidin-2-one; quinoline; copper(I) oxide; 1,10-Phenanthroline at 100 - 175℃; for 0.5h; Inert atmosphere; Microwave irradiation;	50%
Multi-step reaction with 3 steps 1: tetrahydrofuran / 2 h / 20 °C / Darkness 2: tetrahydrofuran / Darkness 3: water / d7-N,N-dimethylformamide / 0.83 h / 100 °C / Inert atmosphere; Glovebox; Sealed tube; Darkness View Scheme

: 625-95-6
3-Iodotoluene

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With copper; tetrabutylammonium nitrite; N,N`-dimethylethylenediamine In N,N-dimethyl-formamide at 110℃; for 0.333333h; Inert atmosphere; Microwave irradiation;	84%
With copper bronze; tetrabutylammonium nitrate; N,N`-dimethylethylenediamine In N,N-dimethyl-formamide at 100℃;	69%
With potassium nitrite; copper(II) bis(trifluoromethanesulfonate) In dimethyl sulfoxide at 130℃; for 48h; Inert atmosphere; Sealed tube; regioselective reaction;	67%

: 3748-99-0
N'-(3-nitrobenzylidene)-4-methylbenzenesulfonohydrazide

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With dichloro bis(1,4-diazabicyclo[2.2.2]octane)(BH4)Zr(IV); toluene-4-sulfonic acid In sulfolane; N,N-dimethyl-formamide at 110℃; for 7.2h;	83%

: 594-27-4
tetramethylstannane

: bis-(3-nitro-phenyl)-iodonium ; hydrogen sulfate

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With palladium diacetate In water at 60 - 70℃; for 4h;	80%
palladium diacetate In water at 60℃; for 4h;	80 % Chromat.

: 108-88-3
toluene

A: 99-08-1
1-methyl-3-nitrobenzene

B: 99-99-0
1-methyl-4-nitrobenzene

C: 88-72-2
1-methyl-2-nitrobenzene

Conditions

Conditions	Yield
With copper(II) nitrate on K10 montmorillonite; acetic anhydride In tetrachloromethane for 120h; Ambient temperature;	A 1% B 79% C 20%
With nitric acid In trifluoroacetic acid at 25℃; Rate constant;	A 0.7% B 66.7% C 32.6%
With ortho-methylphenyl iodide; potassium nitrate In trifluoroacetic acid for 0.5h; Product distribution; nitration of aromatic compounds in the presence of aryl iodides; other temperatures, other reagents;	A n/a B 64% C 33%

...Expand

: 594-27-4
tetramethylstannane

: bis(3-nitrophenyl)iodonium tetrafluoroborate

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With palladium diacetate In N,N-dimethyl-formamide at 60 - 70℃; for 2.5h;	77%
palladium diacetate In N,N-dimethyl-formamide at 60℃; for 2h;	77 % Chromat.

: 594-27-4
tetramethylstannane

: bis(3-nitrophenyl)iodonium trifluoroacetate

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With palladium diacetate In N,N-dimethyl-formamide at 60 - 70℃; for 2.5h;	77%
palladium diacetate In N,N-dimethyl-formamide at 60℃; for 2.5h;	77 % Chromat.

: 1975-51-5
2-methyl-4-nitrobenzoic acid

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With [Au(1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene)(O2CAd)] In toluene at 140℃; for 20h;	71%

: 1809-20-7
diisopropyl hydrogenphosphonate

: 3958-57-4
1-bromomethyl-3-nitrobenzene

A: 99-08-1
1-methyl-3-nitrobenzene

B: diisopropyl (3-nitrophenyl)methyl phosphonate

Conditions

Conditions	Yield
With sodium hydride In isopropyl alcohol for 3h; Ambient temperature;	A 21% B 69%

...Expand

: N-nitro-2,6-dimethylpyridinium tetrafluoroborate

: 108-88-3
toluene

A: 99-08-1
1-methyl-3-nitrobenzene

B: 99-99-0
1-methyl-4-nitrobenzene

C: 88-72-2
1-methyl-2-nitrobenzene

Conditions

Conditions	Yield
Product distribution; Ambient temperature;	A 3% B 32% C 65%

...Expand

: 594-27-4
tetramethylstannane

: 1514-51-8
m-nitrobenzenediazonium hexafluorophosphate

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
palladium diacetate In acetonitrile for 2h; Ambient temperature;	62%

: 66146-33-6
2-(3-nitrophenyl)acetaldehyde

A: 99-08-1
1-methyl-3-nitrobenzene

B: 99-61-6
3-nitro-benzaldehyde

C: 19829-61-9
3,3'-dinitrobibenzyl

Conditions

Conditions	Yield
In water; acetonitrile for 48h; Product distribution; Irradiation;	A 60% B 40% C n/a

...Expand

: 638-03-9
m-toluidine hydrochloride

A: 99-08-1
1-methyl-3-nitrobenzene

B: 13290-74-9
1-chloro-2-methyl-4-nitrobenzene

Conditions

Conditions	Yield
With 3,3-dimethyldioxirane In acetone at 20℃;	A 45% B 55%

: 5326-38-5
2-iodo-5-nitrotoluene

A: 99-08-1
1-methyl-3-nitrobenzene

B: 59517-20-3
2,2'-dimethyl-4,4'-dinitro-biphenyl

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 100℃; for 12h; Catalytic behavior; Ullmann Condensation; Inert atmosphere; Green chemistry;	A 10% B 55%

: 3958-57-4
1-bromomethyl-3-nitrobenzene

A: 99-08-1
1-methyl-3-nitrobenzene

B: 19829-61-9
3,3'-dinitrobibenzyl

C: diisopropyl (3-nitrophenyl)methyl phosphonate

Conditions

Conditions	Yield
With diisopropyl phosphite; sodium hydride In tetrahydrofuran for 3h; Ambient temperature;	A 5% B 28% C 52%

...Expand

: 108-88-3
toluene

A: 99-08-1
1-methyl-3-nitrobenzene

B: 99-99-0
1-methyl-4-nitrobenzene

C: 88-72-2
1-methyl-2-nitrobenzene

D: 121-14-2
2,4-dinitrotoluene

Conditions

Conditions	Yield
With trinitratooxovanadium(V) In dichloromethane for 0.05h; Ambient temperature; Further byproducts given;	A 3% B 47% C 50% D n/a
With trinitratooxovanadium(V) In dichloromethane for 0.1h; Ambient temperature; Further byproducts given;	A 2% B 41% C 35% D 19%

...Expand

: 121-72-2
N,N-dimethyl-m-toluidine

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; ammonium iodide; water In dimethyl sulfoxide at 90℃; for 4h; Sealed tube;	38%

: 108-88-3
toluene

A: 99-08-1
1-methyl-3-nitrobenzene

B: 99-99-0
1-methyl-4-nitrobenzene

C: 88-72-2
1-methyl-2-nitrobenzene

D: 100-52-7
benzaldehyde

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate In water; trifluoroacetic acid for 72h; Ambient temperature; Yield given;	A n/a B n/a C n/a D 24.5%
With nitric acid at 90 - 100℃; for 4h; Product distribution; Further Variations:; Temperatures; Reagents;
With nitrogen dioxide at 70℃; for 6h; Reagent/catalyst; Autoclave; Green chemistry;

...Expand

: 13238-16-9
dibenzylphosphine oxide

: 3958-57-4
1-bromomethyl-3-nitrobenzene

A: 99-08-1
1-methyl-3-nitrobenzene

B: 19829-61-9
3,3'-dinitrobibenzyl

C: (3-nitrophenyl)methyl-dibenzyl-phosphine oxide

Conditions

Conditions	Yield
With sodium hydride 1.) THF, 2.) THF, RT, 3 h; Yield given. Multistep reaction;	A 2% B 21% C n/a

...Expand

: 64-17-5
ethanol

: 1,3-bis-(4-methyl-2-nitro-phenyl)-triazene

A: 99-08-1
1-methyl-3-nitrobenzene

B: 89-62-3
4-methyl-2-nitroaniline

Conditions

Conditions	Yield
at 170℃; im geschlossenen Rohr;

...Expand

: 2229-07-4
methyl radical

: 98-95-3
nitrobenzene

A: 99-08-1
1-methyl-3-nitrobenzene

B: 99-99-0
1-methyl-4-nitrobenzene

C: 88-72-2
1-methyl-2-nitrobenzene

Conditions

Conditions	Yield
at 143℃;

...Expand

: 99-52-5
2-methyl-4-nitro-benzenamine

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
With hydrogenchloride Diazotization.Behandlung der Diazoniumsalz-Loesung mit wss.-alkal. Natriumstannit-Loesung bei -10grad;
Diazotization.Erwaermen des Diazoniumsulfats mit Alkohol;
With formamide; triethylamine; trifluoroacetic acid; sodium nitrite 1.) formamide/water, r.t.; 2.) water, r.t.; Yield given. Multistep reaction;

: 89-62-3
4-methyl-2-nitroaniline

: 99-08-1
1-methyl-3-nitrobenzene

Conditions

Conditions	Yield
durch Entamidierung;
With hydrogenchloride Diazotization.Behandlung der Diazoniumsalz-Loesung mit H3PO2;
Diazotization.Kochen des Diazoniumsulfats mit absol. Alkohol;

: 99-08-1
1-methyl-3-nitrobenzene

: 99-61-6
3-nitro-benzaldehyde

Conditions

Conditions	Yield
With laccase from Coriolus versicolor MTCC-138; 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt In 1,4-dioxane for 1h; pH=4.5; Green chemistry; Enzymatic reaction;	100%
With laccase at 20℃; Reagent/catalyst; Green chemistry; Enzymatic reaction;	100%
With laccase of Pleurotus ostreatus MTCC-1801; 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) diammonium salt In 1,4-dioxane at 20℃; pH=4.5; Enzymatic reaction;	98%

: 99-08-1
1-methyl-3-nitrobenzene

: 108-44-1
1-amino-3-methylbenzene

Conditions

Conditions	Yield
With [1-butyl-2,3-dimethylimidazolium][tppm] stabilized rhodium nanoarticles at 50℃; under 22502.3 Torr; for 5h; Ionic liquid; Autoclave; chemoselective reaction;	100%
With cadmium sulphide; ammonium formate In water at 20℃; for 14h; Inert atmosphere; Irradiation; Sealed tube;	100%
With water; oxalic acid; titanium(IV) oxide for 3h; Wavelength; Irradiation; Inert atmosphere; Sealed tube; Green chemistry; chemoselective reaction;	100%

: 109-74-0
propyl cyanide

: 99-08-1
1-methyl-3-nitrobenzene

A: 60995-75-7
N-butyl-m-toluidine

B: 74878-72-1
N-butyl-N-(3-methyl-n-propyl)-m-toluidine

Conditions

Conditions	Yield
Stage #1: 1-methyl-3-nitrobenzene With ammonium formate; palladium on activated charcoal In methanol; water at 20℃; Stage #2: propyl cyanide In methanol; water	A 100% B n/a

...Expand

: 99-08-1
1-methyl-3-nitrobenzene

: 123-72-8
butyraldehyde

: 60995-75-7
N-butyl-m-toluidine

Conditions

Conditions	Yield
With ammonium formate; palladium on activated charcoal In water; isopropyl alcohol at 20℃; for 1h;	100%

: 99-08-1
1-methyl-3-nitrobenzene

: 110-13-4
2,5-hexanedione

: 32570-10-8
N-(3′-methylphenyl)-2,5-dimethylpyrrole

Conditions

Conditions	Yield
With formic acid for 12h; Autoclave; Inert atmosphere; Green chemistry;	100%
With indium; acetic acid In toluene at 80℃; for 3h; Inert atmosphere;	97%

: 99-08-1
1-methyl-3-nitrobenzene

: 638-03-9
m-toluidine hydrochloride

Conditions

Conditions	Yield
Stage #1: 1-methyl-3-nitrobenzene With hydrogen In ethanol at 25℃; under 11172.7 Torr; Flow reactor; Stage #2: With hydrogenchloride In ethanol Flow reactor; chemoselective reaction;	99%
With hydrogenchloride; tin(ll) chloride In ethanol; water at 30℃; Rate constant; Mechanism; various concentration of HCl;
Stage #1: 1-methyl-3-nitrobenzene With phosgene; sodium tetrahydroborate; copper(II) sulfate In methanol at 20℃; Stage #2: With hydrogenchloride In methanol; diethyl ether	550 mg

: 99-08-1
1-methyl-3-nitrobenzene

: 108-24-7
acetic anhydride

: 537-92-8
3-Methylacetanilide

Conditions

Conditions	Yield
With indium; acetic acid In methanol at 20℃; for 1h;	99%
Stage #1: 1-methyl-3-nitrobenzene With sodium tetrahydroborate In water at 60 - 70℃; Green chemistry; Stage #2: acetic anhydride In water at 60 - 70℃; Green chemistry;	94%
Stage #1: 1-methyl-3-nitrobenzene In water for 0.0833333h; Stage #2: With sodium tetrahydroborate In water at 65℃; for 0.05h; Stage #3: acetic anhydride In water at 65℃; for 0.0333333h; Catalytic behavior;	93%

: 14040-11-0
tungsten hexacarbonyl

: 99-08-1
1-methyl-3-nitrobenzene

: 616-38-6
carbonic acid dimethyl ester

: 537-92-8
3-Methylacetanilide

Conditions

Conditions	Yield
With di(rhodium)tetracarbonyl dichloride; 1,3-bis-(diphenylphosphino)propane; sodium phosphate; sodium iodide In water at 120℃; for 24h; Inert atmosphere; Sealed tube;	99%

...Expand

: 99-08-1
1-methyl-3-nitrobenzene

: 588-04-5
3,3'-dimethylazobenzene

Conditions

Conditions	Yield
With 1,3-bis(N',N'-dimethyl-4-aminopyridinium)propane diiodide; sodium hydride In N,N-dimethyl-formamide; paraffin oil at 20℃; for 0.25h; Inert atmosphere;	98%
With potassium hydroxide In water; isopropyl alcohol at 35℃; under 760.051 Torr; for 8h; Inert atmosphere;	95%
With Piperonyl butoxide; ammonium formate In methanol for 1.25h; Heating;	94%

: 99-08-1
1-methyl-3-nitrobenzene

: 21871-44-3
5-(3-nitrophenyl)-1H-tetrazole

Conditions

Conditions	Yield
With sodium azide; hydroxylamine hydrochloride In water at 20℃; for 4.16667h;	97%

: 451-40-1
phenyl benzyl ketone

: 99-08-1
1-methyl-3-nitrobenzene

: 123848-41-9
2-(3-methylphenyl)-1,2-diphenylethanone

Conditions

Conditions	Yield
With potassium phosphate; bis(acetylacetonato)palladium(II); dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine In cyclohexane at 130℃; for 24h; Inert atmosphere;	97%

: 64-18-6
formic acid

: 99-08-1
1-methyl-3-nitrobenzene

: 3085-53-8
N-formyl-m-toluidine

Conditions

Conditions	Yield
With gold nano particles supported on rutile TiO2 In toluene at 70℃; under 750.075 Torr; for 3h; Inert atmosphere; chemoselective reaction;	96%
With cobalt nanoparticles anchoring on nitrogen doped carbon, pyrolysis at 700 °C In acetonitrile at 110℃; under 750.075 Torr; for 5h; Inert atmosphere; chemoselective reaction;	96.2%
With palladium(II) trifluoroacetate; triphenylphosphine In water at 80℃; for 0.333333h; Sealed tube; Green chemistry;	92%
With [PdCl4]2-ion-exchanged imidazolium IL containing triethylene glycol-tagged onto silica-coated iron oxide nanoparticles In water at 90℃; for 24h; Inert atmosphere; Green chemistry;
With palladium particles distributed over the surface of fibrous silica nanospheres modified via aminopropyltriethoxysilane In toluene at 70℃; for 3h;	98 %Chromat.

: 99-08-1
1-methyl-3-nitrobenzene

: 620-25-7
N-(3-methylphenyl)hydroxylamine

Conditions

Conditions	Yield
With methyldiazene In acetonitrile at 28℃; for 1.33333h; Irradiation; Sealed tube; Inert atmosphere;	95%
With sodium tetrahydroborate; palladium diacetate In ethanol; dichloromethane; water at 20℃; for 0.0833333h;	88%
With rhodium contaminated with carbon; hydrazine hydrate In tetrahydrofuran at 0 - 20℃; for 3h;	85%

: 99-08-1
1-methyl-3-nitrobenzene

A: 108-44-1
1-amino-3-methylbenzene

B: 621-26-1
3,3'-dimethylhydrazobenzene

Conditions

Conditions	Yield
With potassium hydroxide; aluminium In methanol at 20℃; for 0.25h; Reduction; Reductive coupling;	A 3% B 95%

: 64-18-6
formic acid

: 99-08-1
1-methyl-3-nitrobenzene

: 121-72-2
N,N-dimethyl-m-toluidine

Conditions

Conditions	Yield
With hydrogen In toluene at 140℃; under 30003 Torr; for 3h; chemoselective reaction;	95%

: 99-08-1
1-methyl-3-nitrobenzene

: 19618-06-5, 71297-97-7, 116723-90-1
3,3'-dimethylazoxybenzene

Conditions

Conditions	Yield
With oxygen; ammonium chloride; zinc In [bmim][BF4]; water at 20℃; for 16h;	94%
With potassium hydroxide In methanol; toluene for 24h; Heating;	90%
Stage #1: 1-methyl-3-nitrobenzene With sodium tetrahydroborate; palladium diacetate In ethanol; dichloromethane; water at 20℃; Stage #2: With oxygen In ethanol; dichloromethane; water	90%

: 99-08-1
1-methyl-3-nitrobenzene

: 16712-16-6, 64165-14-6, 65387-22-6, 70179-79-2, 540-69-2
ammonium formate

: 3085-53-8
N-formyl-m-toluidine

Conditions

Conditions	Yield
With cobalt nanoparticles coated by N,P-codoped carbon shell pyrolyzed at 800°C In tetrahydrofuran at 120℃; for 12h; Schlenk technique; Inert atmosphere;	94%
With zinc for 0.05h; microwave irradiation;	80%

: 99-08-1
1-methyl-3-nitrobenzene

: 583-05-1
1-phenylpentane-1,4-dione

: 357988-79-5
2-methyl-5-phenyl-1-m-tolyl-1H-pyrrole

Conditions

Conditions	Yield
With indium; acetic acid In toluene for 0.5h; Inert atmosphere; Reflux;	94%

: 99-08-1
1-methyl-3-nitrobenzene

: 121-92-6
3-nitrobenzoic acid

Conditions

Conditions	Yield
With ruthenium trichloride; sodium hypochlorite; tetrabutylammomium bromide In 1,2-dichloro-ethane at 25℃; for 2h;	93%
With chromium(VI) oxide; periodic acid In acetonitrile at 20℃; for 1h;	93%
With oxygen; acetic acid; 1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione; cobalt(II) acetate; manganese(II) acetate at 100℃; under 760 Torr; for 14h;	88%

: 99-08-1
1-methyl-3-nitrobenzene

: 51437-67-3
trans-3,3'-dimethylazobenzene

Conditions

Conditions	Yield
With ammonium acetate; lead In methanol at 20℃;	93%
With isopropyl alcohol; sodium hydroxide at 30℃; for 2h; Catalytic behavior; Inert atmosphere; UV-irradiation;	88%
With ethanolamine; potassium hydroxide at 55℃; for 1h; Sonication; Microwave irradiation;	88%

: 99-08-1
1-methyl-3-nitrobenzene

: 100-52-7
benzaldehyde

: 5405-17-4
N-benzyl-3-methylaniline

Conditions

Conditions	Yield
With formic acid; Au/TiO2-R In water at 80℃; under 760.051 Torr; for 4h; Inert atmosphere; Green chemistry; chemoselective reaction;	93%
With hydrogen In ethanol at 120℃; under 15001.5 Torr; for 8.5h; Autoclave;	87%
Stage #1: 1-methyl-3-nitrobenzene With triethylsilane; palladium In methanol at 20℃; under 760.051 Torr; for 2h; Stage #2: benzaldehyde In methanol	70%

: 67-56-1
methanol

: 99-08-1
1-methyl-3-nitrobenzene

: 696-44-6
N-methyl-m-toluidine

Conditions

Conditions	Yield
With potassium tert-butylate at 130℃; for 24h; Sealed tube;	93%
With [(N,N′-bis(diisopropylphosphino)-2,6-diaminopyridine)Mn(CO)3][Br]; potassium hydroxide at 110℃; for 16h; Molecular sieve; Sealed tube;	80%
With [Ru(2-(6-methoxypyridin-2-yl)-1,10-phenanthroline)(MeCN)2Cl]Cl; sodium methylate at 110℃; for 12h; Green chemistry;	87 %Chromat.
With platinum on carbon; potassium tert-butylate; hydrogen at 150℃; under 1500.15 Torr; for 24h; Autoclave;	93 %Chromat.

: 99-08-1
1-methyl-3-nitrobenzene

: 1160967-80-5
2,2,2-trifluoro-N-(2-iodophenyl)acetimidoyl chloride

: 13939-06-5, 199620-15-0
molybdenum hexacarbonyl

: 3-(m–tolyl)-2-(trifluoromethyl)quinazolin-4(3H)-one

Conditions

Conditions	Yield
With 1,3-bis-(diphenylphosphino)propane; sodium carbonate; palladium dichloride In 1,4-dioxane at 120℃; for 24h; Inert atmosphere; Sealed tube;	93%

...Expand

: 99-08-1
1-methyl-3-nitrobenzene

A: 99-61-6
3-nitro-benzaldehyde

B: 121-92-6
3-nitrobenzoic acid

Conditions

Conditions	Yield
With N-acetoxyphthalimide; cobalt(II) acetate; manganese(II) acetate In acetic acid at 130℃; under 7600 Torr; for 14h;	A 5% B 92%
With Coprinus sp. peroxidase; tartaric acid buffer; dihydrogen peroxide In water; acetone at 20℃; pH=5;

: 99-08-1
1-methyl-3-nitrobenzene

: 4192-77-2
ethyl cinnamate

: (2E)-N-(3-methylphenyl)-3-phenylprop-2-enamide

Conditions

Conditions	Yield
With samarium diiodide In tetrahydrofuran at 20℃; for 0.5h;	92%

: 99-08-1
1-methyl-3-nitrobenzene

: 108-94-1
cyclohexanone

: 1205-64-7
3-Methyldiphenylamine

Conditions

Conditions	Yield
With palladium diacetate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1-methyl-pyrrolidin-2-one at 150℃; for 24h; Inert atmosphere; Sealed vessel;	92%
With N/O-doped porous carbon (on base of polypyrrole) supported nanopalladium at 80℃; Inert atmosphere;	70%

: 99-08-1
1-methyl-3-nitrobenzene

A: 588-04-5
3,3'-dimethylazobenzene

B: 19618-06-5, 71297-97-7, 116723-90-1
3,3'-dimethylazoxybenzene

Conditions

Conditions	Yield
With sodium hydroxide; sodium tetrahydroborate; diphenyl ditelluride In ethanol for 20h; Heating;	A 90% B 10%
With sodium tetrahydroborate; water In ethanol at 30℃; for 3h; chemoselective reaction;	A n/a B 78%

3-Nitrotoluene Specification

The 3-Nitrotoluene with CAS registry number of 99-08-1 is also known as Benzene, 1-methyl-3-nitro-. The IUPAC name is 1-Methyl-3-nitrobenzene. It belongs to product categories of Industrial/Fine Chemicals; Aromatic Hydrocarbons (substituted) & Derivatives; Organics; Method 8330Alphabetic; NA - NIAnalytical Standards; 8000 Series Solidwaste Methods; Analytical Standards;AromaticsEnvironmental Standards; Chemical Class; Environmental Standards; ExplosivesEPA; N; Nitro CompoundsChromatography; Solid WasteMore...Close...; Volatiles/ Semivolatiles. Its EINECS registry number is 202-728-6. In addition, the formula is C₇H₇NO₂ and the molecular weight is 137.14.

Physical properties about 3-Nitrotoluene are: (1)ACD/LogP: 2.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.41; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.82Å²; (9)Index of Refraction: 1.553; (10)Molar Refractivity: 37.62 cm³; (11)Molar Volume: 117.5 cm³; (12)Polarizability: 14.91×10^-24cm³; (13)Surface Tension: 42.6 dyne/cm; (14)Density: 1.166 g/cm³; (15)Flash Point: 101.7 °C; (16)Enthalpy of Vaporization: 44.95 kJ/mol; (17)Boiling Point: 231.9 °C at 760 mmHg; (18)Vapour Pressure: 0.0923 mmHg at 25 °C.

Preparation of 3-Nitrotoluene: it is prepared by reaction of 3-nitro-4-amino toluene. The product can be prepared by the following process and the yield is about 67%. What's more, this reaction can simultaneously recycle nitrotoluene.

C₆C₅CH₃+HNO₃→C₇H₇NO₂+H₂O

Uses of 3-Nitrotoluene: it is mainly used in organic synthesis, and also can be used as pesticide, dye, pharmaceuticals, color reagent, plastics, synthetic fiber and additives intermediate.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it's highly flammable and is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It has danger of cumulative effects. During using it, wear suitable protective clothing and gloves. Avoid release to the environment. After contact with skin, wash immediately with plenty of water. In case of accident or if you feel unwell seek medical advice immediately.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC1=CC(=CC=C1)[N+](=O)[O-]
2. InChI: InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3
3. InChIKey: QZYHIOPPLUPUJF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	oral	3600mg/kg (3600mg/kg)		Chemical Abstracts. Vol. 73, Pg. 91015e, 1970.
mouse	LC50	inhalation	425mg/m³ (425mg/m³)	BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LIVER: FATTY LIVER DEGERATION BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 22(7), Pg. 52, 1978.
mouse	LD50	oral	330mg/kg (330mg/kg)		Chemical Abstracts. Vol. 73, Pg. 91015e, 1970.
rabbit	LD50	oral	1750mg/kg (1750mg/kg)	BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LIVER: FATTY LIVER DEGERATION BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 22(7), Pg. 52, 1978.
rat	LC50	inhalation	693mg/m³ (693mg/m³)	BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS LIVER: FATTY LIVER DEGERATION BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 22(7), Pg. 52, 1978.
rat	LD50	oral	1072mg/kg (1072mg/kg)		National Technical Information Service. Vol. PB214-270,

Product Name

m-Nitrotoluene

Synthetic route

3-Nitrotoluene Specification

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