Product Name

  • Name

    3-Nitrobenzoic acid

  • EINECS 204-508-5
  • CAS No. 121-92-6
  • Article Data492
  • CAS DataBase
  • Density 1.468 g/cm3
  • Solubility water: <0.01 g/100 mL at 18 °C
  • Melting Point 139-142 °C
  • Formula C7H5NO4
  • Boiling Point 340.7 °C at 760 mmHg
  • Molecular Weight 167.121
  • Flash Point 157.5 °C
  • Transport Information
  • Appearance light yellow crystals
  • Safety 26-24/25
  • Risk Codes 22-36/37-33
  • Molecular Structure Molecular Structure of 121-92-6 (3-Nitrobenzoic acid)
  • Hazard Symbols IrritantXi,HarmfulXn
  • Synonyms m-Nitrobenzoic acid;3-nitrobenzoic acid;m-nitrobenzoic acid;M-Nitrobenzoic acid 99%;m-Nitrobenzoicacid;benzoic acid, 3-nitro-;3-Nitro Benzoic Acid;Benzoic acid, m-nitro-;
  • PSA 83.12000
  • LogP 1.81620

Synthetic route

3-Nitrobenzyl alcohol
619-25-0

3-Nitrobenzyl alcohol

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With peracetic acid; C23H27INO5 In acetic acid at 30℃; for 48h;100%
With tetra-N-butylammonium tribromide In acetonitrile at 20℃; for 24h; Irradiation;98%
With sodium hypochlorite; water at 25℃; for 0.583333h;97%
3-nitro-benzaldehyde
99-61-6

3-nitro-benzaldehyde

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With barium permanganate In acetonitrile for 5h; Heating;100%
With potassium bromate; sulfuric acid In acetic acid for 0.25h; Heating;99%
With selenium(IV) oxide; dihydrogen peroxide In tetrahydrofuran for 5h; Heating;99%
3-nitrobenzaldehyde N-[-(3-nitrophenyl)methylidene]hydrazone
41097-40-9, 1567-91-5

3-nitrobenzaldehyde N-[-(3-nitrophenyl)methylidene]hydrazone

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 40h; Heating;100%
With [bis(acetoxy)iodo]benzene In tetrahydrofuran at 20℃; for 4h; Green chemistry;76%
1-(3-nitrophenyl)-1,2-ethanediol
101999-47-7

1-(3-nitrophenyl)-1,2-ethanediol

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With oxygen; sodium methylate; silver trifluoromethanesulfonate In tetrahydrofuran; methanol at 37℃; under 760.051 Torr; Sealed tube;99%
With tert.-butylhydroperoxide; potassium tert-butylate In water at 80℃; for 8h;76%
benzoic acid
65-85-0

benzoic acid

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With ammonium nitrate; trifluoroacetic anhydride In chloroform at 25℃; for 2h;98%
With sulfuric acid; uronium nitrate at 25℃; for 24h;97%
With Vilsmeier reagent; potassium nitrate In neat (no solvent) at 100℃; under 1500.15 Torr; Reagent/catalyst; Temperature; Microwave irradiation;95%
N'-(3-nitrobenzylidene)-4-methylbenzenesulfonohydrazide
3748-99-0

N'-(3-nitrobenzylidene)-4-methylbenzenesulfonohydrazide

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 10h; Heating;98%
3-nitrobenzoic acid benzyl ester
136322-11-7

3-nitrobenzoic acid benzyl ester

toluene
108-88-3

toluene

A

1-methyl-3-(phenylmethyl)-benzene
620-47-3

1-methyl-3-(phenylmethyl)-benzene

B

1-methyl-4-(phenylmethyl)benzene
620-83-7

1-methyl-4-(phenylmethyl)benzene

C

2-benzyltoluene
713-36-0

2-benzyltoluene

D

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With boron trifluoride diethyl etherate; water at 80℃; for 2h; regioselective reaction;A n/a
B n/a
C n/a
D 97%
...Expand
2-(3-nitrophenyl)-1,3-dioxolane
6952-67-6

2-(3-nitrophenyl)-1,3-dioxolane

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With aluminium trichloride; silver bromate In acetonitrile for 0.75h; Heating;96%
3-nitrobenzaldoxime
3431-62-7

3-nitrobenzaldoxime

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With poly(diselanediyl-1,2-phenylene); dihydrogen peroxide In tetrahydrofuran for 42h; Heating;96%
meta-aminobenzoic acid
99-05-8

meta-aminobenzoic acid

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With dihydrogen peroxide; acetonitrile In aq. buffer at 20℃; for 20h; pH=11; Green chemistry;96%
With 1,9-diperoxynonanedioic acid In acetonitrile at 50℃; for 0.5h;83%
diethyl azodicarboxylate ("DEAD")

diethyl azodicarboxylate ("DEAD")

triphenylphosphine
603-35-0

triphenylphosphine

4-nitro-benzoic acid
62-23-7

4-nitro-benzoic acid

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
In benzene95%
In benzene95%
In benzene95%
...Expand
1-methyl-3-nitrobenzene
99-08-1

1-methyl-3-nitrobenzene

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
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%
3-nitrobenzamide
645-09-0

3-nitrobenzamide

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With phthalic anhydride; silica gel microwave irradiation;93%
With hydrogenchloride In 1,4-dioxane at 90℃; for 3h; Rate constant;
2-nitroterephthalic acid
610-29-7

2-nitroterephthalic acid

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With acetic acid; silver carbonate In dimethyl sulfoxide at 120℃; for 16h; regioselective reaction;93%
With copper(l) iodide; triethylamine In dimethyl sulfoxide at 120℃; under 760.051 Torr; for 20h; Inert atmosphere; Schlenk technique; regioselective reaction;41%
3-nitro-benzaldehyde
99-61-6

3-nitro-benzaldehyde

A

3-Nitrobenzyl alcohol
619-25-0

3-Nitrobenzyl alcohol

B

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
Stage #1: 3-nitro-benzaldehyde With potassium hydroxide In water at 20℃; Cannizzaro reaction;
Stage #2: With hydrogenchloride In water		A 92%
B 80%
With potassium hydroxide at 20℃; for 0.166667h; solvent-free Cannizzaro reaction;A 33%
B 53%
With N,N,N',N'-tetramethylguanidine In water at 100℃; for 10h; Cannizzaro reaction;A 42%
B 43%
3-nitrobenzonitrile
619-24-9

3-nitrobenzonitrile

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With phosphate buffer at 30℃; for 24h; rhodococcus rhodocrous AJ270, pH 7.0;92%
With potassium phosphate buffer at 30℃; for 28h; Rhodococcus sp. AJ270 cells;91.7%
1-methyl-3-nitrobenzene
99-08-1

1-methyl-3-nitrobenzene

A

3-nitro-benzaldehyde
99-61-6

3-nitro-benzaldehyde

B

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
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;
3-nitrophthalic acid
603-11-2

3-nitrophthalic acid

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With acetic acid; silver carbonate In dimethyl sulfoxide at 120℃; for 16h; regioselective reaction;92%
3-nitro-benzoic acid-(trans-cinnamyl ester)

3-nitro-benzoic acid-(trans-cinnamyl ester)

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With H-β zeolite; methoxybenzene In toluene for 3h; Heating;90%
With methoxybenzene In toluene for 12h; Heating;85%
2-chloro-5-nitrobenzoic acid
2516-96-3

2-chloro-5-nitrobenzoic acid

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With 1H-imidazole; copper ammonium sulphate hexahydrate; lithium tert-butoxide In N,N-dimethyl-formamide; isopropyl alcohol for 72h; Irradiation;89%
ethyl 3-nitrobenzoate
618-98-4

ethyl 3-nitrobenzoate

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With PPA at 152℃; for 4h;87%
3-nitrophenylglyoxal
6890-77-3

3-nitrophenylglyoxal

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With iodine; dimethyl sulfoxide at 180℃; for 0.0833333h; Inert atmosphere; Microwave irradiation;87%
With tert.-butylhydroperoxide for 6h;84%
3-nitro-benzeneacetic acid
1877-73-2

3-nitro-benzeneacetic acid

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With iodine; dimethyl sulfoxide at 120℃; for 26h; Sealed tube; Green chemistry;86%
Benzotrichlorid
98-07-7

Benzotrichlorid

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With sulfuric acid; nitric acid In dichloromethane at 15 - 20℃; for 1h;85%
With nitric acid; acetic anhydride at 20℃; durch Verseifen;
With sulfuric acid; nitric acid at 100℃; Eintragen des Reaktionsgemisches in kaltes Wasser;
With tetrachloromethane; dinitrogen pentoxide durch Verseifen;
m-iodonitrobenzene
645-00-1

m-iodonitrobenzene

carbon dioxide
124-38-9

carbon dioxide

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
Stage #1: m-iodonitrobenzene With phenyllithium In tetrahydrofuran; diethyl ether; cyclohexane at -20℃; for 3.88889E-06h; Flow reactor;
Stage #2: carbon dioxide In tetrahydrofuran; diethyl ether; cyclohexane at -20℃; Flow reactor;		85%
With triethylamine In acetonitrile at 20℃; under 760.051 Torr; for 24h; Irradiation;
m-nitrobenzoic anhydride
69859-37-6

m-nitrobenzoic anhydride

A

3-Nitrobenzyl alcohol
619-25-0

3-Nitrobenzyl alcohol

B

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With methanol; sodium tetrahydroborate In tetrahydrofuran for 1h; Ambient temperature;A 82%
B 84%
3-nitro-β-nitrostyrene
882-26-8

3-nitro-β-nitrostyrene

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With Amberlyst A-26 (OH-); dihydrogen peroxide In 1,4-dioxane at 20℃; for 7.5h;84%
5,5-dimethyl-2-(3-nitrophenyl)-1,3,2-dioxaborinane
585524-79-4

5,5-dimethyl-2-(3-nitrophenyl)-1,3,2-dioxaborinane

carbon dioxide
124-38-9

carbon dioxide

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With (1,3-bis(2,6-diisopropyl-4-(morpholinomethyl)phenyl)imidazolidin-2-ylidene)copper(I) bromide; potassium tert-butylate In tetrahydrofuran under 760.051 Torr; for 24h; Inert atmosphere; Schlenk technique; Reflux; Green chemistry;83%
With potassium tert-butylate; copper(l) chloride; 1,3-bis[2,6-diisopropylphenyl]imidazolium chloride In tetrahydrofuran at 70℃; under 760.051 Torr; for 24h;79%
Stage #1: 5,5-dimethyl-2-(3-nitrophenyl)-1,3,2-dioxaborinane; carbon dioxide With potassium tert-butylate; silver(I) acetate; triphenylphosphine In tetrahydrofuran at 70℃; under 15201 Torr; for 16h; Inert atmosphere; Autoclave;
Stage #2: With hydrogenchloride In tetrahydrofuran; water Inert atmosphere;		77%
C10H12NO7P

C10H12NO7P

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Conditions
ConditionsYield
With tert.-butylhydroperoxide In toluene at 20℃; for 4h;82%
3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

meta-aminobenzoic acid
99-05-8

meta-aminobenzoic acid

Conditions
ConditionsYield
With graphitic carbon nitride; hydrazine hydrate In water at 70℃; for 36h; Irradiation; Sealed tube; Green chemistry; chemoselective reaction;100%
With palladium 10% on activated carbon; ammonium formate; silica gel In methanol for 1.5h; Milling;99%
With hydrogen In ethanol; water at 18 - 20℃; under 760.051 Torr; for 10h;96.5%
allyl bromide
106-95-6

allyl bromide

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

3-nitrobenzoic acid allyl ester
779-80-6

3-nitrobenzoic acid allyl ester

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide for 18h; Ambient temperature;100%
With tetrabutylammomium bromide; potassium carbonate In water; benzene for 6h; Ambient temperature;59%
deacetylthiocolchicine
2731-16-0

deacetylthiocolchicine

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

N-(3'-nitrobenzoyl)deacetylthiocolchicine
147950-71-8

N-(3'-nitrobenzoyl)deacetylthiocolchicine

Conditions
ConditionsYield
With dicyclohexyl-carbodiimide In dichloromethane for 24h; Ambient temperature;100%
biphenyl-2-ylcarbamic acid 1-(2-aminoethyl)piperidin-4-yl ester
743460-61-9

biphenyl-2-ylcarbamic acid 1-(2-aminoethyl)piperidin-4-yl ester

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

C27H28N4O5
909899-84-9

C27H28N4O5

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;100%
benzoyl chloride
98-88-4

benzoyl chloride

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

Benzoeseure-(3-nitrobenzylester)
38612-16-7

Benzoeseure-(3-nitrobenzylester)

Conditions
ConditionsYield
With pyridine at 0℃; for 1.5h;100%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

(1H‑1,2,3‑benzotriazol‑1‑yl)(3‑nitrophenyl)methanone

(1H‑1,2,3‑benzotriazol‑1‑yl)(3‑nitrophenyl)methanone

Conditions
ConditionsYield
With thionyl chloride In dichloromethane at 20℃; for 8.5h;100%
Stage #1: 1,2,3-Benzotriazole With thionyl chloride In dichloromethane at 25℃; for 0.5h;
Stage #2: 3-nitrobenzoic acid In dichloromethane at 25℃; for 3h;		89%
Stage #1: 3-nitrobenzoic acid With iodine; triphenylphosphine In dichloromethane at 0℃; for 0.5h;
Stage #2: 1,2,3-Benzotriazole In dichloromethane at 0℃; for 0.166667h;
Stage #3: With triethylamine In dichloromethane at 20℃; for 1h;		70%
Stage #1: 3-nitrobenzoic acid With 1,3,5-trichloro-2,4,6-triazine; triethylamine In dichloromethane at 0℃; for 0.166667h;
Stage #2: 1,2,3-Benzotriazole In dichloromethane at 0 - 25℃; for 1h;		70%
With thionyl chloride In dichloromethane at 20℃;
3,5-bis-trifluoromethylbenzylamine
85068-29-7

3,5-bis-trifluoromethylbenzylamine

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

N-(3,5-bis(trifluoromethyl)benzyl)-3-nitrobenzamide

N-(3,5-bis(trifluoromethyl)benzyl)-3-nitrobenzamide

Conditions
ConditionsYield
Stage #1: 3-nitrobenzoic acid With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 2h; Inert atmosphere;
Stage #2: 3,5-bis-trifluoromethylbenzylamine With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere;		100%
{[3,5-bis(trifluoromethyl)phenyl]methyl}methylamine
159820-24-3

{[3,5-bis(trifluoromethyl)phenyl]methyl}methylamine

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-3-nitrobenzamide

N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-3-nitrobenzamide

Conditions
ConditionsYield
Stage #1: 3-nitrobenzoic acid With oxalyl dichloride In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 2h; Inert atmosphere;
Stage #2: {[3,5-bis(trifluoromethyl)phenyl]methyl}methylamine With triethylamine In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; Inert atmosphere;		100%
benzyl-methyl-amine
103-67-3

benzyl-methyl-amine

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

N-benzyl-N-methyl-3-nitrobenzamide
195140-22-8

N-benzyl-N-methyl-3-nitrobenzamide

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 12h;100%
3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

3-bromo-5-nitro-benzoic acid
6307-83-1

3-bromo-5-nitro-benzoic acid

Conditions
ConditionsYield
With N-Bromosuccinimide; sulfuric acid at 60℃; for 2.75h;99%
With N-Bromosuccinimide; sulfuric acid at 60℃; for 3h;99.2%
With N-Bromosuccinimide; sulfuric acid at 60℃; for 12h;98%
diazomethane
186581-53-3, 908094-01-9

diazomethane

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

methyl 3-nitrobenzoate
618-95-1

methyl 3-nitrobenzoate

Conditions
ConditionsYield
In 2-methyltetrahydrofuran; diethyl ether at 20℃; for 0.486667h; Flow reactor;99%
With diethyl ether
In diethyl ether
at 0℃; for 0.25h;62.3 mg
aniline
62-53-3

aniline

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

5-nitrobenzanilide
2243-73-4

5-nitrobenzanilide

Conditions
ConditionsYield
With 4-methyl-morpholine; 2-chloro-4-methoxy-6-(2-piperidone-1-yl)-1,3,5-triazine In methanol at 20℃; for 0.5h; Reagent/catalyst; Solvent;99%
With magnesia In neat (no solvent) at 70℃; for 0.333333h; Green chemistry; chemoselective reaction;92%
With dmap; dicyclohexyl-carbodiimide In dichloromethane for 16h;92%
methanol
67-56-1

methanol

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

methyl 3-nitrobenzoate
618-95-1

methyl 3-nitrobenzoate

Conditions
ConditionsYield
With 4-methyl-morpholine; 2-chloro-4-methoxy-6-(N-phenylbenzamido)-1,3,5-triazine at 20℃; for 1h;99%
With oxone at 65℃; for 30h;98%
Stage #1: 3-nitrobenzoic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 20℃;
Stage #2: methanol In dichloromethane for 0.0833333h;		98%
3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

m-nitrobenzoic acid chloride
121-90-4

m-nitrobenzoic acid chloride

Conditions
ConditionsYield
With oxalyl dichloride99%
With oxalyl dichloride; N,N-dimethyl-formamide In benzene99%
With thionyl chloride In toluene Reflux;98%
cyclohexyl-N-tosyl aziridine
68820-12-2

cyclohexyl-N-tosyl aziridine

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

C20H22N2O6S

C20H22N2O6S

Conditions
ConditionsYield
With tetrabutylammomium bromide In N,N-dimethyl-formamide at 65℃; for 33h; stereoselective reaction;99%
In N,N-dimethyl-formamide at 65℃; for 39h; Temperature; Solvent;99%
methylamine
74-89-5

methylamine

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

N-methyl-3-nitro-benzamide
3400-26-8

N-methyl-3-nitro-benzamide

Conditions
ConditionsYield
With phosphorus trichloride In tetrahydrofuran; acetonitrile at 150℃; for 0.0833333h; Inert atmosphere; Microwave irradiation;99%
Stage #1: 3-nitrobenzoic acid With 2,4,6-tripropyl-1,3,5,2,4,6-trioxatriphosphinane-2,4,6-trioxide; triethylamine In acetonitrile at 20℃; for 0.5h;
Stage #2: methylamine In acetonitrile
Stage #1: 3-nitrobenzoic acid With 1,1'-carbonyldiimidazole In dichloromethane at 20℃; for 0.333333h; Inert atmosphere;
Stage #2: methylamine In dichloromethane; water at 20℃; for 3h; Inert atmosphere;
N-(phenylethynyl)-S-methyl-S-phenylsulfoximine
1429402-56-1

N-(phenylethynyl)-S-methyl-S-phenylsulfoximine

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

C22H18N2O5S

C22H18N2O5S

Conditions
ConditionsYield
In tetrahydrofuran at 20℃; for 1h; Inert atmosphere; regioselective reaction;99%
4-fluoro-1,9-dimethyldibenzo[b,d]iodol-5-ium triflate

4-fluoro-1,9-dimethyldibenzo[b,d]iodol-5-ium triflate

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

C21H15FINO4

C21H15FINO4

Conditions
ConditionsYield
With copper diacetate; sodium carbonate; (3aR,3a'R,8aS,8a'S)-2,2'-(propane-2,2-diyl)bis(8,8a-dihydro-3aH-indeno[1,2-d]oxazole) In dichloromethane; water at 30℃; for 12h; enantioselective reaction;99%
acetone
67-64-1

acetone

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

2-oxopropyl 3-nitrobenzoate

2-oxopropyl 3-nitrobenzoate

Conditions
ConditionsYield
With sodium chlorite; potassium iodide at 100℃; for 24h; Schlenk technique;99%
ethanol
64-17-5

ethanol

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

ethyl 3-nitrobenzoate
618-98-4

ethyl 3-nitrobenzoate

Conditions
ConditionsYield
With thionyl chloride at 80℃; for 3.08333h; Cooling with ice;98%
With sulfuric acid for 16h; Reflux;96.33%
With thionyl chloride for 2h; Heating;92%
3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

m-nitrobenzoic anhydride
69859-37-6

m-nitrobenzoic anhydride

Conditions
ConditionsYield
With N,N-bis[2-oxo-3-oxazolidinyl]phosphorodiamidic chloride; triethylamine In acetonitrile at 20℃; for 0.5h;98%
With potassium carbonate; p-toluenesulfonyl chloride In ethyl acetate at 20℃; for 0.666667h;79%
With dicyclohexyl-carbodiimide In dichloromethane at 20℃;58%
4-methylamino-4H-1,2,4-triazole
21614-53-9

4-methylamino-4H-1,2,4-triazole

3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

2-(methylamino)-5-nitrobenzoic acid
3484-33-1

2-(methylamino)-5-nitrobenzoic acid

Conditions
ConditionsYield
With potassium tert-butylate In dimethyl sulfoxide for 0.25h; Ambient temperature;98%
3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

methyl iodide
74-88-4

methyl iodide

methyl 3-nitrobenzoate
618-95-1

methyl 3-nitrobenzoate

Conditions
ConditionsYield
With potassium hydroxide In dimethyl sulfoxide at 20℃; for 2h;98%
In acetonitrile for 8h; Inert atmosphere; Alkaline conditions;
3-nitrobenzoic acid
121-92-6

3-nitrobenzoic acid

3-iodo-5-nitro-benzoic acid
6313-17-3

3-iodo-5-nitro-benzoic acid

Conditions
ConditionsYield
With sulfuric acid; iodine at 20 - 85℃; for 14h;98%
With sulfuric acid; sulfur trioxide; iodine at 20 - 85℃; for 14h;98%
With sulfuric acid; iodine at 20 - 85℃; for 14h;98%

3-Nitrobenzoic acid Chemical Properties

The Molecular Structure of 3-Nitrobenzoic acid (CAS NO.121-92-6):

Empirical Formula: C7H5NO4
Molecular Weight: 167.1189 
IUPAC Name: 3-nitrobenzoic acid 
Appearance: light yellow crystals
Nominal Mass: 167 Da
Average Mass: 167.1189 Da
Monoisotopic Mass: 167.021858 Da 
Index of Refraction: 1.615
Molar Refractivity: 39.72 cm3
Molar Volume: 113.8 cm3
Surface Tension: 66.4 dyne/cm
Density: 1.468 g/cm3
Flash Point: 157.5 °C
Enthalpy of Vaporization: 61.67 kJ/mol
Boiling Point: 340.7 °C at 760 mmHg
Vapour Pressure: 3.26E-05 mmHg at 25°C 
Water Solubility: <0.01 g/100 mL at 18 °C 
Stability: Stable. Combustible. Incompatible with strong oxidizing agents
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Organics;Organic acids;C7;Carbonyl Compounds;Carboxylic Acids
InChI
InChI=1/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10) 
Smiles
c1(cc(ccc1)[N+](=O)[O-])C(O)=O
Synonyms: AI3-09015 ; BRN 0908644 ; Benzoic acid, 3-nitro- ; Benzoic acid, m-nitro- ; CCRIS 2335 ; EINECS 204-508-5 ; HSDB 6028 ; Metanitrobenzoic acid ; m-Nitrobenzenecarboxylic acid ; m-Nitrobenzoic acid ; meta-Nitrobenzoic acid ; Benzoic acid, 3-nitro- ; Benzoic acid, m-nitro-   

3-Nitrobenzoic acid Uses

 3-Nitrobenzoic acid (CAS NO.121-92-6) is mainly used as intermediate for photo-sensitive mateirals and pharmaceuticals. 

3-Nitrobenzoic acid Toxicity Data With Reference

1.    

mmo-sat 100 µg/plate

     ENMUDM    Environmental Mutagenesis. 9 (Suppl 9)(1987),1.
2.    

dnr-bcs 500 µg/disc

     MUREAV    Mutation Research. 170 (1986),11.
3.    

ipr-rat LD50:670 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 160 (1966),1097.
4.    

ivn-rat LD50:680 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 160 (1966),1097.
5.    

par-rat LD50:1820 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 160 (1966),1097.
6.    

ipr-mus LD50:610 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 160 (1966),1097.
7.    

ivn-mus LD50:640 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 160 (1966),1097.
8.    

par-mus LD50:1290 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 160 (1966),1097.

3-Nitrobenzoic acid Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

3-Nitrobenzoic acid Safety Profile

Moderately toxic by intraperitoneal, intravenous and parenteral routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS.
Hazard Codes : IrritantXiHarmfulXn
Risk Statements  :
R22: Harmful if swallowed 
R36/37: Irritating to eyes and respiratory system
R33: Danger of cumulative effects
Safety Statements  :
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
S24/25: Avoid contact with skin and eyes

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