Product Name

  • Name

    2-Chloro-4-nitrobenzoic acid

  • EINECS 202-771-0
  • CAS No. 99-60-5
  • Article Data24
  • CAS DataBase
  • Density 1.602 g/cm3
  • Solubility water: 1 g/L (20 °C)
  • Melting Point 136-140 °C(lit.)
  • Formula C7H4ClNO4
  • Boiling Point 362.2 °C at 760 mmHg
  • Molecular Weight 201.566
  • Flash Point 172.8 °C
  • Transport Information
  • Appearance white or straw yellow crystal powder
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 99-60-5 (2-Chloro-4-nitrobenzoic acid)
  • Hazard Symbols IrritantXi
  • Synonyms Benzoic acid, 2-chloro-4-nitro-;4-09-00-01229 (Beilstein Handbook Reference);2-chloro-4-nitro-benzoate;2-chloro-4-nitro-benzoic acid;Kyselina 2-chloro-4-nitrobenzoova [Czech];2-Chloro-4-Nitro Benzoic Acid;Kyselina 2-chloro-4-nitrobenzoova;
  • PSA 83.12000
  • LogP 2.46960

Synthetic route

2-chloro-4-nitro-6-hydroxyisopropylbenzene

2-chloro-4-nitro-6-hydroxyisopropylbenzene

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

Conditions
ConditionsYield
Stage #1: 2-chloro-4-nitro-6-hydroxyisopropylbenzene With 4-methyl-morpholine at 46℃; for 1.16667h;
Stage #2: With titanium tetra-n-propoxide at 55℃; for 1.83333h;
96%
2-chloro-4-nitrobenzaldehyde
5568-33-2

2-chloro-4-nitrobenzaldehyde

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

Conditions
ConditionsYield
With copper(II) oxide; dihydrogen peroxide In acetonitrile at 60℃; for 2.5h; Green chemistry;85%
With potassium permanganate
2-chloro-4-nitrotoluene
121-86-8

2-chloro-4-nitrotoluene

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

Conditions
ConditionsYield
With nitric acid at 120 - 180℃;
With manganese(IV) oxide; sulfuric acid
With manganese(IV) oxide; potassium hydroxide
4-nitro-2-chlorobenzonitrile
28163-00-0

4-nitro-2-chlorobenzonitrile

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

Conditions
ConditionsYield
With sulfuric acid Behandeln des Reaktionsgemisches mit wss. Natriumnitrit-Loesung;
2-chloro-4-nitrobenzoyl chloride
7073-36-1

2-chloro-4-nitrobenzoyl chloride

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

Conditions
ConditionsYield
With potassium permanganate
N-(2-chloro-4-nitrobenzoyl)imidazole

N-(2-chloro-4-nitrobenzoyl)imidazole

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

Conditions
ConditionsYield
With 1H-imidazole; potassium chloride In water; acetonitrile at 25 - 50℃; Kinetics; Thermodynamic data; ΔH(excit.), ΔS(excit.), ΔG(excit.);
1-(bromomethyl)-2-chloro-4-nitrobenzene
42533-63-1

1-(bromomethyl)-2-chloro-4-nitrobenzene

potassium permanganate

potassium permanganate

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

2-chloro-4-nitrotoluene
121-86-8

2-chloro-4-nitrotoluene

nitric acid
7697-37-2

nitric acid

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

Conditions
ConditionsYield
at 170 - 180℃;
2-chloro-4-nitrotoluene
121-86-8

2-chloro-4-nitrotoluene

sulfuric acid
7664-93-9

sulfuric acid

K2cr2O7

K2cr2O7

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

Conditions
ConditionsYield
at 65℃;
2-chloro-4-nitrotoluene
121-86-8

2-chloro-4-nitrotoluene

K3fe(CN)6

K3fe(CN)6

aqueous KOH

aqueous KOH

MnO2

MnO2

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

2-chloro-4-nitrotoluene
121-86-8

2-chloro-4-nitrotoluene

permanganate solution

permanganate solution

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

diazotized 4-nitro-2-amino-benzoic acid

diazotized 4-nitro-2-amino-benzoic acid

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

Conditions
ConditionsYield
With hydrogenchloride; copper(l) chloride
hot 2-chloro-4-nitro-toluene

hot 2-chloro-4-nitro-toluene

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

Conditions
ConditionsYield
With sodium hydroxide; potassium permanganate
With potassium dichromate; sulfuric acid at 65℃;
With bromine at 170℃; Irradiation.Erhitzen der Reaktionsloesung mit Kaliumacetat und Aethanol und Erwaermen des Reaktionsprodukts mit wss. Kalilauge unter Zusatz von Kaliumpermanganat;
2,2'-dichloro-4,4'-dinitro-trans-stilbene
107016-63-7

2,2'-dichloro-4,4'-dinitro-trans-stilbene

acetone
67-64-1

acetone

KMnO4

KMnO4

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

phosphorus pentachloride
10026-13-8, 874483-75-7

phosphorus pentachloride

2-carboxy-5-nitrobenzenesulfonic acid
22952-26-7

2-carboxy-5-nitrobenzenesulfonic acid

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

Conditions
ConditionsYield
at 170℃; man destilliert das Reaktionsprodukt im Vakuum und kocht das Destillat mit Wasser;
1-methyl-4-nitrobenzene
99-99-0

1-methyl-4-nitrobenzene

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: SbCl5 / 100 °C
2: permanganate
View Scheme
1-(bromomethyl)-2-chloro-4-nitrobenzene
42533-63-1

1-(bromomethyl)-2-chloro-4-nitrobenzene

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Pb(NO3)2; water
2: KMnO4
View Scheme
2-methyl-5-nitroaniline
99-55-8

2-methyl-5-nitroaniline

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ice; concentrated hydrochloric acid / mit NaNO2 diazotieren und in CuCl-Loesung giessen
2: permanganate
View Scheme
2-chloro-4-nitrotoluene
121-86-8

2-chloro-4-nitrotoluene

A

2-chloro-4-nitrobenzaldehyde
5568-33-2

2-chloro-4-nitrobenzaldehyde

B

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

C

(2-chloro-4-nitrophenyl)methanol
52301-88-9

(2-chloro-4-nitrophenyl)methanol

Conditions
ConditionsYield
Stage #1: 2-chloro-4-nitrotoluene With 5,10,15,20-tetrakis(4-methylphenyl)porphyrinatocopper(II); C40H32MnN8; oxygen; cobalt(II) diacetate tetrahydrate; acetic acid at 130℃; under 5250.53 Torr;
Stage #2: With water at 83℃; under 3750.38 Torr;
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

2-chloro-4-nitrobenzoyl chloride
7073-36-1

2-chloro-4-nitrobenzoyl chloride

Conditions
ConditionsYield
With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 0 - 25℃; for 0.5h;100%
With thionyl chloride93%
With thionyl chloride93%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

(2-chloro-4-nitrophenyl)methanol
52301-88-9

(2-chloro-4-nitrophenyl)methanol

Conditions
ConditionsYield
Stage #1: 2-chloro-4-nitrobenzoic acid With 1,1'-carbonyldiimidazole In tetrahydrofuran at 35℃; for 1.5h;
Stage #2: With sodium tetrahydroborate In tetrahydrofuran; water at 20℃; for 1.5h;
Stage #3: With hydrogenchloride In tetrahydrofuran; water for 1h;
100%
Stage #1: 2-chloro-4-nitrobenzoic acid With 1,1'-carbonyldiimidazole In tetrahydrofuran at 20℃; for 1h;
Stage #2: With sodium tetrahydroborate In tetrahydrofuran; water at 20℃; for 16h;
98%
Stage #1: 2-chloro-4-nitrobenzoic acid With borane In tetrahydrofuran at 20℃; for 16h;
Stage #2: With water; potassium carbonate In tetrahydrofuran Product distribution / selectivity;
97%
Stage #1: 2-chloro-4-nitrobenzoic acid With 1,1'-carbonyldiimidazole In tetrahydrofuran at 20℃; for 1h;
Stage #2: With sodium tetrahydroborate In tetrahydrofuran; water at 15 - 20℃; for 16h;
Stage #3: With hydrogenchloride; water In tetrahydrofuran pH=1;
Multi-step reaction with 2 steps
1: dicyclohexyl-carbodiimide / tetrahydrofuran / 20 °C
2: sodium tetrahydroborate / tetrahydrofuran / 20 °C
View Scheme
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

4-methoxy-aniline
104-94-9

4-methoxy-aniline

2-[(4-methoxyphenyl)amino]-4-nitrobenzoic acid
91-42-9

2-[(4-methoxyphenyl)amino]-4-nitrobenzoic acid

Conditions
ConditionsYield
With copper(I) oxide; copper; potassium carbonate In 2-ethoxy-ethanol at 130℃; for 24h;99%
With copper(I) sulfate; potassium carbonate; copper(II) sulfate In water for 0.116667h; Ullmann condensation; microwave irradiation;93%
With potassium carbonate; copper(II) sulfate for 0.0333333h; Ullmann condensation; microwave irradiation;93%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

4-amino-2-chlorobenzoic acid
2457-76-3

4-amino-2-chlorobenzoic acid

Conditions
ConditionsYield
With hydrogen; palladium on activated charcoal In ethyl acetate at 20℃; under 760 Torr;98%
With isopropyl alcohol; potassium hydroxide at 20℃; for 2.5h; Catalytic behavior;88%
With iron; ammonium chloride In ethanol; water for 2h; Reflux;24%
ethanol
64-17-5

ethanol

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

ethyl 2-chloro-4-nitrobenzoate
73097-02-6

ethyl 2-chloro-4-nitrobenzoate

Conditions
ConditionsYield
With sulfuric acid Reflux;98%
With sulfuric acid at 120℃; for 24h;94%
With sulfuric acid Reflux;91%
With sulfuric acid
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

isobutene
115-11-7

isobutene

tert-butyl 2-chloro-4-nitro-benzoate

tert-butyl 2-chloro-4-nitro-benzoate

Conditions
ConditionsYield
With sulfuric acid In dichloromethane at 20℃; for 16h;97%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

Thiosalicylic acid
147-93-3

Thiosalicylic acid

4-nitro-2,2'-thiodibenzoic acid
103626-83-1

4-nitro-2,2'-thiodibenzoic acid

Conditions
ConditionsYield
Stage #1: Thiosalicylic acid With sodium hydride In N,N-dimethyl-formamide at 20℃;
Stage #2: 2-chloro-4-nitrobenzoic acid With copper(I) oxide for 5h; Reflux; Inert atmosphere;
97%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

2-hydroxy-4-nitrobenzoic acid
619-19-2

2-hydroxy-4-nitrobenzoic acid

Conditions
ConditionsYield
With pyridine; water; potassium carbonate; copper for 0.25h; sonication;96%
With pyridine; copper; potassium carbonate In water for 2h; Heating;90%
With quicklime; water; copper at 160 - 170℃;
With copper(l) iodide; copper; potassium carbonate
With calcium hydroxide; copper diacetate In water at 160℃; for 7h;
4-chloro-3-(pyridin-2-yl)benzeneamine
879088-41-2

4-chloro-3-(pyridin-2-yl)benzeneamine

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-nitrobenzamide

2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-nitrobenzamide

Conditions
ConditionsYield
With 2-(7-azobenzotriazolyl)-N,N,N’,N’-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 20℃; for 16h;95.1%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

2-chloro-4,5-dinitrobenzoic acid
33458-98-9

2-chloro-4,5-dinitrobenzoic acid

Conditions
ConditionsYield
With sulfuric acid; nitric acid at 90℃; for 0.666667h;95%
With sulfuric acid; nitric acid anschliessendes Erwaermen auf 100grad;
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

aniline
62-53-3

aniline

2-anilino-4-nitrobenzoic acid
49551-01-1

2-anilino-4-nitrobenzoic acid

Conditions
ConditionsYield
With copper(I) sulfate; potassium carbonate; copper(II) sulfate In water for 0.0833333h; Ullmann condensation; microwave irradiation;95%
With potassium carbonate; copper(II) sulfate for 0.0333333h; Ullmann condensation; microwave irradiation;95%
With copper diacetate; potassium carbonate at 185℃; for 2h; Ullmann Condensation; Inert atmosphere;52%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

glycine
56-40-6

glycine

2-[(carboxymethyl)amino]-4-nitrobenzoic acid
108302-73-4

2-[(carboxymethyl)amino]-4-nitrobenzoic acid

Conditions
ConditionsYield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.416667h; Ullmann condensation; ultrasonic irradiation;95%
With copper; potassium carbonate In N,N-dimethyl-formamide for 2h; Heating;75%
pyrrolidine
123-75-1

pyrrolidine

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

3-chloro-4-(pyrrolidin-1-yl-carbonyl)-1-nitro-benzene
209959-68-2

3-chloro-4-(pyrrolidin-1-yl-carbonyl)-1-nitro-benzene

Conditions
ConditionsYield
With O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In tetrahydrofuran at 20℃; for 2h;95%
With 4-methyl-morpholine; isobutyl chloroformate In dichloromethane
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

4-chloro-3-[5-(trifluoromethyl)pyridin-2-yl]aniline

4-chloro-3-[5-(trifluoromethyl)pyridin-2-yl]aniline

2-chloro-N-{4-chloro-3-[5-(trifluoromethyl)pyridin-2-yl]phenyl}-4-nitrobenzamide

2-chloro-N-{4-chloro-3-[5-(trifluoromethyl)pyridin-2-yl]phenyl}-4-nitrobenzamide

Conditions
ConditionsYield
With 2-(7-azobenzotriazolyl)-N,N,N’,N’-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 0 - 20℃; for 16h;92.3%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

malonic acid dimethyl ester
108-59-8

malonic acid dimethyl ester

2-(2-methoxy-2-oxoethyl)-4-nitrobenzoic acid

2-(2-methoxy-2-oxoethyl)-4-nitrobenzoic acid

Conditions
ConditionsYield
With sodium methylate; copper(I) bromide92%
Stage #1: 2-chloro-4-nitrobenzoic acid; malonic acid dimethyl ester With sodium methylate; copper(I) bromide at 100℃; Inert atmosphere;
Stage #2: With hydrogenchloride In hexane; water pH=1;
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

methyl iodide
74-88-4

methyl iodide

methyl 2-chloro-4-nitrobenzoate
13324-11-3

methyl 2-chloro-4-nitrobenzoate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile at 20℃; for 1.5h;92%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

toluene
108-88-3

toluene

benzyl 2-chloro-4-nitrobenzoate
250790-07-9

benzyl 2-chloro-4-nitrobenzoate

Conditions
ConditionsYield
With N,N-dimethyl acetamide; trifluorormethanesulfonic acid; oxygen; palladium diacetate at 115℃; under 760.051 Torr; for 24h; Schlenk technique;91%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

dimethyl sulfate
77-78-1

dimethyl sulfate

methyl 2-chloro-4-nitrobenzoate
13324-11-3

methyl 2-chloro-4-nitrobenzoate

Conditions
ConditionsYield
With sodium hydrogencarbonate In water; N,N-dimethyl-formamide at 60℃; for 1.5h;91%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

propynoic acid methyl ester
922-67-8

propynoic acid methyl ester

methyl 3-(2-chloro-4-nitrobenzoyloxy)acrylate

methyl 3-(2-chloro-4-nitrobenzoyloxy)acrylate

Conditions
ConditionsYield
With 4-methyl-morpholine In acetonitrile at 40℃; for 12h; Esterification;90%
4-amino-3-(4-methylthiobenzyl)-5-mercapto-1,2,4-triazole

4-amino-3-(4-methylthiobenzyl)-5-mercapto-1,2,4-triazole

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

C17H12ClN5O2S2
1144110-82-6

C17H12ClN5O2S2

Conditions
ConditionsYield
With trichlorophosphate for 8h; Heating;90%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

trans-2-ethynylcyclohexan-1-ol
55506-28-0

trans-2-ethynylcyclohexan-1-ol

C15H14ClNO4

C15H14ClNO4

Conditions
ConditionsYield
With triphenylphosphine; diethylazodicarboxylate In toluene at 0℃; Inert atmosphere;90%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

dimethyl amine
124-40-3

dimethyl amine

2-chloro-N,N-dimethyl-4-nitrobenzamide
90649-54-0

2-chloro-N,N-dimethyl-4-nitrobenzamide

Conditions
ConditionsYield
With N-[(dimethylamino)-1H-1,2,3-triazolo[4,5-b]pyridine-1-ylmethylene]-N-methylmethanaminium hexafluorophosphate N-oxide; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide for 16h;90%
pyrrolidine
123-75-1

pyrrolidine

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

4-nitro-2-(1-pyrrolidinyl)benzoic acid

4-nitro-2-(1-pyrrolidinyl)benzoic acid

Conditions
ConditionsYield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.25h; Ullmann condensation; ultrasonic irradiation;88%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

methyl-d3-amine hydrochloride
7436-22-8

methyl-d3-amine hydrochloride

2-chloro-4-nitro-N-trideuteromethyl benzamide

2-chloro-4-nitro-N-trideuteromethyl benzamide

Conditions
ConditionsYield
Stage #1: 2-chloro-4-nitrobenzoic acid With thionyl chloride; N,N-dimethyl-formamide for 1h; Reflux;
Stage #2: methyl-d3-amine hydrochloride With triethylamine In dichloromethane at 20℃; for 1h;
86.6%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

p-toluidine
106-49-0

p-toluidine

4-nitro-2-p-toluidino-benzoic acid
26690-12-0

4-nitro-2-p-toluidino-benzoic acid

Conditions
ConditionsYield
With potassium carbonate; copper(II) sulfate for 0.0221667h; Ullmann condensation; microwave irradiation;86%
With copper; potassium carbonate In N,N-dimethyl-formamide Goldberg Reaction; Heating;
2-amino-benzthiazole
136-95-8

2-amino-benzthiazole

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

3-nitro-12H-[1,3]benzothiazolo-[2,3-b]quinazolin-12-one

3-nitro-12H-[1,3]benzothiazolo-[2,3-b]quinazolin-12-one

Conditions
ConditionsYield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.416667h; sonication;86%
With copper Ullmann condensation; Sonication;
propylamine
107-10-8

propylamine

2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

4-nitro-2-(propylamino)benzoic acid

4-nitro-2-(propylamino)benzoic acid

Conditions
ConditionsYield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.416667h; Ullmann condensation; ultrasonic irradiation;86%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

3-methyl-1-(2-pyridinyl)-1H-pyrazol-5-ylamine
19541-96-9

3-methyl-1-(2-pyridinyl)-1H-pyrazol-5-ylamine

2-[[3-methyl-1-(2-pyridinyl)-1H-pyrazol-5-yl]amino]-4-nitrobenzoic acid
364727-81-1

2-[[3-methyl-1-(2-pyridinyl)-1H-pyrazol-5-yl]amino]-4-nitrobenzoic acid

Conditions
ConditionsYield
86%
2-chloro-4-nitrobenzoic acid
99-60-5

2-chloro-4-nitrobenzoic acid

phenethylamine
64-04-0

phenethylamine

4-nitro-N-phenethylanthranilic acid
1002965-83-4

4-nitro-N-phenethylanthranilic acid

Conditions
ConditionsYield
With copper(I) oxide; copper; potassium carbonate In various solvent(s) at 130℃; for 24h;86%

2-Chloro-4-nitrobenzoic acid Chemical Properties

IUPAC Name: 2-Chloro-4-nitrobenzoic acid 
Following is the structure of 2-Chloro-4-nitrobenzoic acid (CAS NO.99-60-5):
                          
Molecular Formula: C7H4ClNO4
Formula Weight: 201.56
EINECS: 202-771-0
Index of Refraction: 1.627
Molar Refractivity: 44.62 cm3
Molar Volume: 125.7 cm3
Density: 1.602 g/cm3
Flash Point: 172.8 °C
Surface Tension: 67.7 dyne/cm
Melting point: 136-140 °C(lit.)
Water Solubility: 1 g/L (20 °C)
Enthalpy of Vaporization: 64.16 kJ/mol
Boiling Point: 362.2 °C at 760 mmHg
Vapour Pressure: 7.04E-06 mmHg at 25 °C
Appearance of 2-Chloro-4-nitrobenzoic acid (CAS NO.99-60-5): white or light yellow needle-like powder or crystal
Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organic acids; C7; Carbonyl Compounds; Carboxylic Acids
Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)C(=O)O
InChI: InChI=1S/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey: QAYNSPOKTRVZRC-UHFFFAOYSA-N

2-Chloro-4-nitrobenzoic acid Uses

 2-Chloro-4-nitrobenzoic acid (CAS NO.99-60-5) is used as an intermediate of drug rivanol, as well as a disinfectant drug.

2-Chloro-4-nitrobenzoic acid Production

 2-Chloro-4-nitrobenzoic acid (CAS NO.99-60-5) is synthesized from para-nitrotoluene by chlorination and oxidation.

2-Chloro-4-nitrobenzoic acid Toxicity Data With Reference

1.    

eye-rbt 250 µg/24H SEV

    28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,91.

 2-Chloro-4-nitrobenzoic acid (CAS NO.99-60-5) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.

2-Chloro-4-nitrobenzoic acid Consensus Reports

Reported in EPA TSCA Inventory.

2-Chloro-4-nitrobenzoic acid Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: DG5425000
HS Code: 29163900
A severe eye irritant. When heated to decomposition, 2-Chloro-4-nitrobenzoic acid (CAS NO.99-60-5) emits very toxic fumes of Cl and NOx.

2-Chloro-4-nitrobenzoic acid Specification

 2-Chloro-4-nitrobenzoic acid , its cas register number 99-60-5. It also can be called 2-Chloro-4-nitrobenzoic acid ; Kyselina 2-chloro-4-nitrobenzoova ; Kyselina 2-chloro-4-nitrobenzoova [Czech] ; and Benzoic acid, 2-chloro-4-nitro- . Its classification code is Skin / Eye Irritant.
 2-Chloro-4-nitrobenzoic acid (CAS NO.99-60-5) could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials. It is not compatible with strong oxidizing agents, strong bases. And also prevent it to broken down into hazardous decomposition products: Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported. 2-Chloro-4-nitrobenzoic acid (CAS NO.99-60-5) should be stored in cool, dry conditions in well sealed containers. Or keep its container tightly sealed. And do not store it together with strongly basic or oxidizing materials.

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