5-Chloro-2-nitrobenzoic acid supplier

Name
5-Chloro-2-nitrobenzoic acid
EINECS 219-738-1
CAS No. 2516-95-2
Article Data14
CAS DataBase
Density 1.602 g/cm³
Solubility slightly soluble in water
Melting Point 137-139 °C(lit.)
Formula C₇H₄ClNO₄
Boiling Point 362 °C at 760 mmHg
Molecular Weight 201.566
Flash Point 172.8 °C
Transport Information UN 3077 9/PG 3
Appearance Yellow to greenish crystalline powder
Safety 22-24/25-61-60-36/37/39-26-36
Risk Codes 36/37/38-50/53-41-37/38-22
Molecular Structure
Hazard Symbols Xn,N,Xi
Synonyms 5-chloro-2-nitro-benzoic acid;2-Nitro-5-Chlorobenzoic acid;Benzoic acid, 5-chloro-2-nitro-;5-chloro-2-nitro-benzoate;5-Chloro-2-nitrobenzoic acid 98%;5-Chloro-2-Nitro Benzoic Acid;
PSA 83.12000
LogP 2.46960

Synthetic route

: 73033-58-6
5-chloro-2-nitrobenzyl alcohol

: 2516-95-2
5-chloro-2-nitrobenzoic acid

Conditions

Conditions	Yield
With Iron(III) nitrate nonahydrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium chloride; oxygen In 1,2-dichloro-ethane at 25℃; for 48h; Schlenk technique;	87%

: 73033-58-6
5-chloro-2-nitrobenzyl alcohol

A: 6628-86-0
5-chloro-2-nitrobenzaldehyde

B: 2516-95-2
5-chloro-2-nitrobenzoic acid

Conditions

Conditions	Yield
With Iron(III) nitrate nonahydrate; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; potassium chloride; oxygen In 1,2-dichloro-ethane at 25℃; for 48h; Schlenk technique;	A 22% B 60%

: 6628-86-0
5-chloro-2-nitrobenzaldehyde

: 2516-95-2
5-chloro-2-nitrobenzoic acid

Conditions

Conditions	Yield
With potassium permanganate

: 5367-28-2
5-chloro-2-nitrotoluene

: 2516-95-2
5-chloro-2-nitrobenzoic acid

Conditions

Conditions	Yield
With potassium permanganate
With potassium permanganate; tetrabutylammomium bromide

: 535-80-8
3-chlorobenzoate

A: 2516-95-2
5-chloro-2-nitrobenzoic acid

B: 4771-47-5
3-chloro-2-nitro-benzoic acid

Conditions

Conditions	Yield
With nitric acid
With nitric acid das Gemisch wird in Wasser von 50grad gegossen;
beim Nitrieren;

: 62567-91-3
ethyl 2-(5-chloro-2-nitrophenyl)-2-cyanoacetate

: 2516-95-2
5-chloro-2-nitrobenzoic acid

Conditions

Conditions	Yield
With potassium permanganate; potassium carbonate

: 62567-90-2
diethyl 2-(5-chloro-2-nitrophenyl)propanedioate

: 2516-95-2
5-chloro-2-nitrobenzoic acid

Conditions

Conditions	Yield
With potassium permanganate; potassium carbonate

: 7697-37-2
nitric acid

: 535-80-8
3-chlorobenzoate

A: 2516-95-2
5-chloro-2-nitrobenzoic acid

B: 4771-47-5
3-chloro-2-nitro-benzoic acid

...Expand

: 5367-28-2
5-chloro-2-nitrotoluene

neutral potassium permanganate solution: neutral potassium permanganate solution

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 121-14-2
2,4-dinitrotoluene

: 2516-95-2
5-chloro-2-nitrobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: acetic acid; sodium acetate / bei der elektrolytischen Reduktion 2: hydrochloric acid 3: Verkochen des Diazoniumsulfatsmit Alkohol.Diazotization 4: potassium permanganate View Scheme

: 43192-03-6
4-hydroxylamino-2-nitrotoluene

: 2516-95-2
5-chloro-2-nitrobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: hydrochloric acid 2: Verkochen des Diazoniumsulfatsmit Alkohol.Diazotization 3: potassium permanganate View Scheme

: 2-chloro-4-methyl-5-nitro-aniline

: 2516-95-2
5-chloro-2-nitrobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: Verkochen des Diazoniumsulfatsmit Alkohol.Diazotization 2: potassium permanganate View Scheme

: 611-06-3
2,4-dichloronitrobenzene

: 2516-95-2
5-chloro-2-nitrobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (i) NaOEt, DMSO, (ii) /BRN= 1451655/ 2: KMnO4, aq. K2CO3 View Scheme
Multi-step reaction with 2 steps 1: (i) NaOEt, DMSO, (ii) /BRN= 1451655/ 2: KMnO4, aq. K2CO3 View Scheme

: 535-80-8
3-chlorobenzoate

: 2516-95-2
5-chloro-2-nitrobenzoic acid

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at -5 - 0℃; for 1h;
With nitric acid; acetic anhydride at 20℃;

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 41994-44-9
5-chloro-2-nitrobenzoyl chloride

Conditions

Conditions	Yield
With thionyl chloride	100%
With thionyl chloride Heating / reflux;	98%
With thionyl chloride In dichloromethane for 4h; Reflux;	66%

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 635-21-2
5-chloroanthranilic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol under 735.5 Torr; for 2h; Ambient temperature;	100%
With hydrogen; nickel In ethanol at 20℃;	96%
Reduction;	85%

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 73033-58-6
5-chloro-2-nitrobenzyl alcohol

Conditions

Conditions	Yield
With dimethylsulfide borane complex In tetrahydrofuran at 80℃; for 3h; Inert atmosphere;	100%
With borane-THF In tetrahydrofuran at 50℃; for 96h;	91%
With dimethylsulfide borane complex In tetrahydrofuran at 80℃; for 3h; Inert atmosphere;	90%

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 118-92-3
anthranilic acid

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In methanol under 735.5 Torr; for 80h;	100%

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 77-78-1
dimethyl sulfate

: 51282-49-6
methyl 5-chloro-2-nitrobenzoate

Conditions

Conditions	Yield
With potassium carbonate In acetone for 0.5h; Esterification; Heating;	100%
With sodium carbonate In acetone for 3h; Heating;	78%
With potassium carbonate In acetone Reflux;
With potassium carbonate In [(2)H6]acetone for 0.5h; Reflux;	534 g

: 110-91-8
morpholine

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 153437-51-5
2-nitro-5-(morpholin-4-yl)benzoic acid

Conditions

Conditions	Yield
Stage #1: morpholine; 5-chloro-2-nitrobenzoic acid at 110℃; for 2h; Neat (no solvent); Stage #2: pH=Ca. 3; Acidic aq. solution;	100%
at 120℃; for 6h;

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 124-40-3
dimethyl amine

: 62876-66-8
5-dimethylamino-2-nitrobenzoic acid

Conditions

Conditions	Yield
In water at 60℃; for 23h;	99%
In water at 0 - 60℃; for 23h;	99%
In water at 70℃; for 25h; Autoclave;	99%
In water at 100℃; for 6h;

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 610-37-7
5-hydroxy-2-nitrobenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide for 72h; Inert atmosphere; Reflux;	99%
With sodium hydroxide In water for 72h; Inert atmosphere;	96.5%
With potassium hydroxide In water for 24h; Reflux;	90%

: 67-56-1
methanol

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 51282-49-6
methyl 5-chloro-2-nitrobenzoate

Conditions

Conditions	Yield
With thionyl chloride at 80℃; for 4h; Cooling with ice; Reflux;	98.2%
With thionyl chloride at 0℃; for 15h; Heating / reflux;	92%
With sulfuric acid for 20h; Reflux; Inert atmosphere;	89%

: 64-17-5
ethanol

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 51282-56-5
ethyl-5-chloro-2-nitrobenzoate

Conditions

Conditions	Yield
With thionyl chloride at 0℃; for 48h; Heating / reflux;	97%
With sulfuric acid for 24h; Reflux;	85%

: 123-75-1
pyrrolidine

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 2-nitro-5-(pyrrolidin-1-yl)benzoic acid

Conditions

Conditions	Yield
Stage #1: pyrrolidine; 5-chloro-2-nitrobenzoic acid at 110℃; for 2h; Neat (no solvent); Stage #2: pH=Ca. 3; Acidic aq. solution;	95.66%

: 110-89-4
piperidine

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 118159-39-0
2-nitro-5-(piperidin-N-yl)-benzoic acid

Conditions

Conditions	Yield
Stage #1: piperidine; 5-chloro-2-nitrobenzoic acid at 110℃; for 2h; Neat (no solvent); Stage #2: pH=Ca. 3; Acidic aq. solution;	95.04%

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 4-chloro-2-deuteronitrobenzene

Conditions

Conditions	Yield
With water-d2; silver carbonate In dimethyl sulfoxide at 120℃; for 16h;	95%

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 62876-66-8
5-dimethylamino-2-nitrobenzoic acid

Conditions

Conditions	Yield
With dimethyl amine In water at 80℃; for 4h;	94%

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 611-06-3
2,4-dichloronitrobenzene

Conditions

Conditions	Yield
With copper(l) iodide; oxygen; copper(l) chloride In dimethyl sulfoxide at 160℃; under 760.051 Torr; for 30h; Schlenk technique; Sealed tube;	93%
With oxygen; silver carbonate; potassium hydroxide; copper dichloride In dimethyl sulfoxide; N,N-dimethyl-formamide at 130 - 140℃;	80%
With 2.9-dimethyl-1,10-phenanthroline; oxygen; copper (I) acetate; silver sulfate; sodium chloride In dimethyl sulfoxide at 160℃; for 24h; Schlenk technique;	66%
With 2.9-dimethyl-1,10-phenanthroline; oxygen; copper diacetate; silver sulfate; sodium chloride In dimethyl sulfoxide at 160℃; under 760.051 Torr; for 20h; Schlenk technique;	64%

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 74-88-4
methyl iodide

: 51282-49-6
methyl 5-chloro-2-nitrobenzoate

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 40℃; for 1h;	92%
With potassium carbonate In N,N-dimethyl-formamide at 0 - 40℃; for 1h;	92%

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 160938-18-1
1-iodo-5-chloro-2-nitrobenzene

Conditions

Conditions	Yield
With copper(l) iodide; oxygen In dimethyl sulfoxide at 160℃; under 760.051 Torr; for 30h; Schlenk technique; Sealed tube;	92%
With 2.9-dimethyl-1,10-phenanthroline; oxygen; copper diacetate; silver sulfate; sodium iodide In dimethyl sulfoxide at 160℃; under 760.051 Torr; for 20h; Schlenk technique;	76%

: 591-50-4
iodobenzene

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 29547-09-9
5-chloro-2-nitro-1,1'-biphenyl

Conditions

Conditions	Yield
With triphenylphosphine; silver carbonate; palladium dichloride In dimethyl sulfoxide; N,N-dimethyl-formamide at 130℃; for 30h; Inert atmosphere;	92%

: 2516-95-2
5-chloro-2-nitrobenzoic acid

A: 73033-58-6
5-chloro-2-nitrobenzyl alcohol

B: 113259-79-3
5-(piperidin-1-yl)-2-nitrobenzaldehyde

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran	A 91% B n/a

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 77-78-1
dimethyl sulfate

: 68701-32-6
5-methylthio-2-nitrobenzoic acid

Conditions

Conditions	Yield
Stage #1: 5-chloro-2-nitrobenzoic acid With sodium sulfide nonahydrate; sodium hydroxide In water at 60℃; for 2.5h; Stage #2: dimethyl sulfate at 100℃; for 1h;	90%
With sodium sulfide; sodium hydroxide 1) water, 50-55 deg C, 2,5 h 2) reflux 1 h; Yield given. Multistep reaction;
Stage #1: 5-chloro-2-nitrobenzoic acid With sodium sulfide; sodium hydroxide at 60℃; Stage #2: dimethyl sulfate Heating;
Stage #1: 5-chloro-2-nitrobenzoic acid With sodium sulfide; sodium hydroxide In water at 60℃; for 2.5h; Stage #2: dimethyl sulfate With sodium hydroxide In water for 1h; Heating / reflux; Stage #3: With hydrogenchloride In water

: 1072-98-6
5-chloro-2-pyridylamine

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 280771-82-6
N-(5-chloropyridin-2-yl)-5-chloro-2-nitrobenzamide

Conditions

Conditions	Yield
With pyridine; trichlorophosphate In acetonitrile at 0 - 30℃; for 1h; Inert atmosphere;	90%
With pyridine; trichlorophosphate at 20℃; for 0.0833333h;

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 100-00-5
4-chlorobenzonitrile

Conditions

Conditions	Yield
With copper(l) iodide; triethylamine In dimethyl sulfoxide at 120℃; under 760.051 Torr; for 20h; Inert atmosphere; Schlenk technique;	88%
With 2.9-dimethyl-1,10-phenanthroline; oxygen; copper (I) acetate; silver sulfate; sodium iodide In dimethyl sulfoxide at 160℃; for 24h; Schlenk technique;	76%
With copper(I) oxide at 120℃; for 24h; Ionic liquid;

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 530-62-1
1,1'-carbonyldiimidazole

: C10H6ClN3O3

Conditions

Conditions	Yield
In tetrahydrofuran for 1h; Reflux;	86%

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 19036-42-1
5,5'-dichloro-2,2'-dinitro-1,1'-biphenyl

Conditions

Conditions	Yield
With triphenylphosphine; silver carbonate; palladium dichloride In dimethyl sulfoxide at 130℃; for 6h; Inert atmosphere;	85%
With copper(l) iodide In dimethyl sulfoxide at 140℃; for 20h; Inert atmosphere; Molecular sieve;	72%

: 110-91-8
morpholine

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 142439-67-6
N-<5-chloro-2-nitrobenzoyl>morpholide

Conditions

Conditions	Yield
In thionyl chloride; acetone	84%
In acetone at 0℃; for 0.25h;

: 931-53-3
Cyclohexyl isocyanide

: 1074-12-0
phenylglyoxal hydrate

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 5003-71-4
3-bromopropylamine hydrochloride

: 2-benzoyl-1-(5-chloro-2-nitrobenzoyl)-N-cyclohexylpyrrolidine-2-carboxamide

Conditions

Conditions	Yield
Stage #1: Cyclohexyl isocyanide; phenylglyoxal hydrate; 5-chloro-2-nitrobenzoic acid; 3-bromopropylamine hydrochloride With sodium hydroxide In methanol at 20℃; for 24h; Stage #2: With caesium carbonate In methanol at 20℃; for 1h;	84%

...Expand

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: potassium 5-chloro-2-nitrobenzoate

Conditions

Conditions	Yield
With potassium tert-butylate In ethanol at 20℃;	83%

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 385-00-2
2,6-difluorobenzoic acid

A: 781-16-8
2,2',6,6'-tetrafluoro-1,1'-biphenyl

B: 1352638-58-4
5-chloro-2',6'-difluoro-2-nitro-1,1'-biphenyl

C: 19036-42-1
5,5'-dichloro-2,2'-dinitro-1,1'-biphenyl

Conditions

Conditions	Yield
With triphenylphosphine; silver carbonate; palladium dichloride In dimethyl sulfoxide at 130℃; for 6h; Inert atmosphere;	A 11 %Chromat. B 79% C 21%

...Expand

: 2516-95-2
5-chloro-2-nitrobenzoic acid

: 193481-78-6
3-Amino-5-chloro-2-nitrobenzoic acid

Conditions

Conditions	Yield
With O-Methylhydroxylamin; potassium tert-butylate; copper diacetate In 1,2-dimethoxyethane at 20℃; Substitution; Amination;	78%
With potassium tert-butylate; N-methoxylamine hydrochloride; copper diacetate In N,N-dimethyl-formamide at 0℃; for 3h;	60.5%
With potassium tert-butylate; N-methoxylamine hydrochloride; copper diacetate In N,N-dimethyl-formamide for 3h;	32%

5-Chloro-2-nitrobenzoic acid Chemical Properties

IUPAC Name: 5-Chloro-2-nitrobenzoic acid
Molecular Formula: C₇H₄ClNO₄
Molecular Weight: 201.57 g/mol
SMILES: c1(c(cc(Cl)cc1)C(O)=O)[N+](=O)[O-]
InChI: InChI=1/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)
EINECS: 219-738-1
Product Categories: FINE Chemical & INTERMEDIATES; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzene series; Organic acids; C7; Carbonyl Compounds; Carboxylic Acids
Index of Refraction: 1.627
Molar Refractivity: 44.62 cm³
Molar Volume: 125.7 cm³
Surface Tension: 67.7 dyne/cm
Density: 1.602 g/cm³
Flash Point: 172.8 °C
Enthalpy of Vaporization: 64.14 kJ/mol
Boiling Point: 362 °C at 760 mmHg
Melting Point: 137-139 °C(lit.)
Water Solubility: Slightly Soluble
Vapour Pressure of 5-Chloro-2-nitrobenzoic acid (CAS NO.2516-95-2): 7.1E-06 mmHg at 25 °C

5-Chloro-2-nitrobenzoic acid Safety Profile

Hazard Codes: Irritant Xi, Dangerous N, Harmful Xn
Risk Statements: 36/37/38-50/53-41-37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R41:Risk of serious damage to the eyes.
R37/38:Irritating to respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 22-24/25-61-60-36/37/39-26-36
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S60:This material and its container must be disposed of as hazardous waste.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
Hazard Note of 5-Chloro-2-nitrobenzoic acid (CAS NO.2516-95-2): Irritant

5-Chloro-2-nitrobenzoic acid Specification

5-Chloro-2-nitrobenzoic acid (CAS NO.2516-95-2), its Synonyms are Benzoic acid, 5-chloro-2-nitro- ; 5-Chloro-2-nitro-benzoicaci ; 2-Nitro-5-chlorobenzoic acid . It is light yellow to yellowish-green crystalline powder.

Product Name

5-Chloro-2-nitrobenzoic acid

Synthetic route

5-Chloro-2-nitrobenzoic acid Chemical Properties

5-Chloro-2-nitrobenzoic acid Safety Profile

5-Chloro-2-nitrobenzoic acid Specification

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