2-Chloro-5-Nitrobenzoic Acid supplier

Name
2-Chloro-5-nitrobenzoic acid
EINECS 219-739-7
CAS No. 2516-96-3
Article Data41
CAS DataBase
Density 1.602 g/cm³
Solubility
Melting Point 165-168 °C(lit.)
Formula C₇H₄ClNO₄
Boiling Point 356.5 °C at 760 mmHg
Molecular Weight 201.566
Flash Point 169.4 °C
Transport Information UN 3077 9/PG 3
Appearance light yellow to light yellow-green crystalline
Safety 26-39-61-24/25-36
Risk Codes 22-37/38-41-50-36/37/38
Molecular Structure
Hazard Symbols Xn, N, Xi
Synonyms 6-Chloro-3-nitrobenzoic acid;benzoic acid, 2-chloro-5-nitro-;2-chloro-5-nitro-benzoate;
PSA 83.12000
LogP 2.46960

Synthetic route

: 118-91-2
ortho-chlorobenzoic acid

: 2516-96-3
2-chloro-5-nitrobenzoic acid

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at -5 - 20℃; for 2h; Large scale;	95.4%
With sulfuric acid; nitric acid at -5 - 5℃; for 2h;	95.8%
With sulfuric acid; potassium nitrate at 25℃; for 3h;	90.2%

: 831-50-5
1-chloro-4-nitro-2-(trichloromethyl)benzene

: 2516-96-3
2-chloro-5-nitrobenzoic acid

Conditions

Conditions	Yield
With sulfuric acid In water at 65 - 95℃; for 3h; Temperature;	95%

: 16588-15-1
2-chloro-5-nitro-benzamide

: 2516-96-3
2-chloro-5-nitrobenzoic acid

Conditions

Conditions	Yield
With hydrogenchloride
With sulfuric acid; sodium nitrite

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

: 2516-96-3
2-chloro-5-nitrobenzoic acid

Conditions

Conditions	Yield
With nitric acid at 140 - 150℃;

: 96-97-9
5-nitrosalicylic acid

: 2516-96-3
2-chloro-5-nitrobenzoic acid

Conditions

Conditions	Yield
With phosphorus pentachloride

: 6361-21-3
2-chloro-5-nitrobenzaldehyde

: 2516-96-3
2-chloro-5-nitrobenzoic acid

Conditions

Conditions	Yield
With permanganate(VII) ion

: 118-91-2
ortho-chlorobenzoic acid

A: 2516-96-3
2-chloro-5-nitrobenzoic acid

B: 3970-35-2
2-chloro-3-nitrobezoic acid

Conditions

Conditions	Yield
With nitric acid
With sulfuric acid; nitric acid

: 54253-05-3
2-chloro-N-(4-chlorophenyl)-5-nitrobenzamide

: 2516-96-3
2-chloro-5-nitrobenzoic acid

Conditions

Conditions	Yield
With sodium hydroxide

: 7647-01-0
hydrogenchloride

: 60041-99-8
6-nitro-3-phenylbenzo[d][1,2,3]triazin-4(3H)-one

A: 2516-96-3
2-chloro-5-nitrobenzoic acid

B: 62-53-3
aniline

Conditions

Conditions	Yield
at 120 - 130℃;

...Expand

: 7647-01-0
hydrogenchloride

: 91532-29-5
6-nitrobenzo[d][1,2,3]triazin-4(3H)-one

A: 2516-96-3
2-chloro-5-nitrobenzoic acid

B: 7664-41-7
ammonia

C nitrogen: nitrogen

Conditions

Conditions	Yield
at 120 - 130℃;

...Expand

: 7647-01-0
hydrogenchloride

: 3-methyl-6-nitro-3H-benzo[d][1,2,3]triazin-4-one

A: 2516-96-3
2-chloro-5-nitrobenzoic acid

B: 74-89-5
methylamine

C nitrogen: nitrogen

Conditions

Conditions	Yield
at 120 - 130℃;

...Expand

: 7664-93-9
sulfuric acid

: 7697-37-2
nitric acid

: 118-91-2
ortho-chlorobenzoic acid

: 2516-96-3
2-chloro-5-nitrobenzoic acid

...Expand

: 7697-37-2
nitric acid

: 118-91-2
ortho-chlorobenzoic acid

A: 2516-96-3
2-chloro-5-nitrobenzoic acid

B: 3970-35-2
2-chloro-3-nitrobezoic acid

Conditions

Conditions	Yield
at -30 - 0℃;

...Expand

: 40567-35-9
5-nitro-2-sulfo-benzoic acid

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

: 2516-96-3
2-chloro-5-nitrobenzoic acid

Conditions

Conditions	Yield
at 180℃;

6-chloro-3-nitro-toluene-ω-sulfonic acid: 6-chloro-3-nitro-toluene-ω-sulfonic acid

: 2516-96-3
2-chloro-5-nitrobenzoic acid

Conditions

Conditions	Yield
With permanganate(VII) ion

diazotized 3-amino-5-nitro-benzoic acid: diazotized 3-amino-5-nitro-benzoic acid

: 2516-96-3
2-chloro-5-nitrobenzoic acid

Conditions

Conditions	Yield
With copper(I) chloride

: 7664-93-9
sulfuric acid

: 777-37-7
4-chloro-3-(trifluoromethyl)nitrobenzene

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 23082-50-0
2'-chloro-5'-nitroacetophenone

potassium permanganate: potassium permanganate

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 749147-27-1
(2-chloro-5-nitro-phenyl)-methanesulfonic acid

permanganate: permanganate

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 873-32-5
2-Chlorobenzonitrile

: 2516-96-3
2-chloro-5-nitrobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: diluted sulfuric acid 2: nitric acid View Scheme

: 16588-02-6
4-chloro-3-cyanonitrobenzene

: 2516-96-3
2-chloro-5-nitrobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: aq. NaOH solution; aqueous hydrogen peroxide 2: aqueous sulfuric acid; sodium nitrite View Scheme
Multi-step reaction with 2 steps 1: concentrated sulfuric acid 2: concentrated aqueous hydrochloric acid View Scheme

: 95-51-2
2-Chloroaniline

: 2516-96-3
2-chloro-5-nitrobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: hydrochloric acid; sodium nitrite / die Loesung mit Wasserdampf destillieren 2: diluted sulfuric acid 3: nitric acid View Scheme
Multi-step reaction with 3 steps 1: Diazotization.Behandlung der Diazoloesung mit Kaliumkupfercyanuerloesung 2: diluted sulfuric acid 3: nitric acid View Scheme

: 89-98-5
2-chloro-benzaldehyde

: 2516-96-3
2-chloro-5-nitrobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sulfuric acid; sodium nitrate / 0 - 5 °C 2: permanganate; alkali View Scheme

: 25784-91-2
2-chloro-5-nitrobenzoylchloride

: 2516-96-3
2-chloro-5-nitrobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 2: aq. NaOH View Scheme

: 6361-21-3
2-chloro-5-nitrobenzaldehyde

A: 2516-96-3
2-chloro-5-nitrobenzoic acid

B: 80866-80-4
2-chloro-5-nitrobenzyl alcohol

Conditions

Conditions	Yield
With sodium borohydrid In methanol; water
With sodium borohydrid In methanol; water
With sodium borohydrid In methanol; water

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 25784-91-2
2-chloro-5-nitrobenzoylchloride

Conditions

Conditions	Yield
With thionyl chloride	100%
In toluene	95%
With phosphorus pentachloride In benzene for 3h; Heating;	93.1%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 95-84-1
3-amino-4-hydroxytoluene

: 78460-76-1
2-(2-amino-4-methylphenoxy)-5-nitrobenzoic acid

Conditions

Conditions	Yield
With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride 1.)ice-bath cooling, 1.5 h 2.)r.t., overnight;	100%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 100-00-5
4-chlorobenzonitrile

Conditions

Conditions	Yield
With silver carbonate In dimethyl sulfoxide; N,N-dimethyl-formamide at 110℃; for 16h; Inert atmosphere;	100%
With silver carbonate In dimethyl sulfoxide at 120℃; for 16h;	90%
With silver(I) acetate; potassium carbonate In 1-methyl-pyrrolidin-2-one at 120℃; for 16h; Inert atmosphere;	85%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 108-91-8
cyclohexylamine

: 66380-72-1
2-(cyclohexylamino)-5-nitrobenzoic acid

Conditions

Conditions	Yield
at 120℃; for 0.0833333h; microwave irradiation;	99%
Stage #1: 2-chloro-5-nitrobenzoic acid; cyclohexylamine at 120℃; for 0.1h; Microwave heating; Stage #2: With sodium hydroxide In dichloromethane; water Stage #3: With hydrogenchloride In water Acidic aqueous solution;	31%
With water; sodium carbonate at 140℃;

: 123-75-1
pyrrolidine

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 19555-48-7
2-tetrahydropyrrolyl-5-nitrobenzoic acid

Conditions

Conditions	Yield
at 80℃; for 0.0833333h; microwave irradiation;	99%
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.25h; Ullmann condensation; ultrasonic irradiation;	92%
In ethanol for 7h; Heating;	89%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 80866-80-4
2-chloro-5-nitrobenzyl alcohol

Conditions

Conditions	Yield
With sodium tetrahydroborate; boron trifluoride diethyl etherate In tetrahydrofuran at 0 - 20℃; for 1h;	99%
With sodium tetrahydroborate; boron trifluoride diethyl etherate In tetrahydrofuran at 0 - 20℃;	90%
With phenylsilane; C34H30CoO6; potassium In tetrahydrofuran at 20℃; for 20h; Inert atmosphere; Schlenk technique; Glovebox;	71%
With sodium tetrahydroborate; boron trifluoride diethyl etherate In tetrahydrofuran at 0 - 20℃; for 1h;

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 1003-03-8
Cyclopentamine

: 247568-48-5
2-(cyclopentylamino)-5-nitrobenzoic acid

Conditions

Conditions	Yield
at 120℃; for 0.0833333h; microwave irradiation;	99%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 142-84-7
di-n-propylamine

: 2-(dipropylamino)-5-nitrobenzoic acid

Conditions

Conditions	Yield
at 100℃; for 0.0833333h; microwave irradiation;	99%
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.333333h; Ullmann condensation; ultrasonic irradiation;	79%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 111-92-2
dibutylamine

: 83909-53-9
2-Dibutylamino-5-nitro-benzoic acid

Conditions

Conditions	Yield
for 3h; Heating;	98%

: 111-87-5
octanol

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 1256568-06-5
octyl 2-chloro-5-nitrobenzoate

Conditions

Conditions	Yield
With 25 wtpercent H3PO4/ZrO2-TiO2 at 140℃; for 0.75h; Neat (no solvent); chemoselective reaction;	98%

: 112-30-1
1-Decanol

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 1256568-05-4
decyl 2-chloro-5-nitrobenzoate

Conditions

Conditions	Yield
With 25 wtpercent H3PO4/ZrO2-TiO2 at 160℃; for 0.5h; Neat (no solvent); chemoselective reaction;	98%

: 67-56-1
methanol

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 6307-82-0
2-chloro-5-nitro-benzoic acid methyl ester

Conditions

Conditions	Yield
sulfuric acid for 24h; Heating / reflux;	97.9%
With sulfuric acid for 24h; Reflux;	96%
With sulfuric acid at 80℃; for 24h;	96%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 89-54-3
2-chloro-5-aminobenzoic acid

Conditions

Conditions	Yield
With hydrogen; platinum	97%
With hydrogen; platinum(IV) oxide In ethanol Ambient temperature;	95%
With iron; ammonium chloride In ethanol; water at 78 - 80℃; for 5h;	95.1%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 96-97-9
5-nitrosalicylic acid

Conditions

Conditions	Yield
With pyridine; water; potassium carbonate; copper for 0.25h; sonication;	97%
With water; potassium hydroxide for 6h; Heating; Large scale;	97%
Stage #1: 2-chloro-5-nitrobenzoic acid With potassium hydroxide In water at 25 - 30℃; under 1875.19 Torr; for 0.333333h; Industrial scale; Stage #2: In water at 125 - 130℃; for 5h; Industrial scale;	96%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 56-40-6
glycine

: 26491-02-1
2-[(carboxymethyl)amino]-5-nitrobenzoic acid

Conditions

Conditions	Yield
With copper; potassium carbonate In N,N-dimethyl-formamide at 25℃; for 0.416667h; Ullmann condensation; ultrasonic irradiation;	97%
With copper; potassium carbonate In N,N-dimethyl-formamide for 2h; Heating;	97%
With copper; sodium carbonate In water for 2h; Reflux;	50%
With water; copper; sodium carbonate

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 3-(2-hydroxyethyl)-1-methyl-1H-imidazol-3-ium tetrafluoroborate

: BF4(1-)*C13H13ClN3O4(1+)

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 12h;	97%

: 111-70-6
n-heptan1ol

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 1256568-07-6
heptyl 2-chloro-5-nitrobenzoate

Conditions

Conditions	Yield
With 25 wtpercent H3PO4/ZrO2-TiO2 at 130℃; for 0.75h; Neat (no solvent); chemoselective reaction;	97%

: 626-67-5
N-methylcyclohexylamine

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: (2-chloro-5-nitrophenyl)(piperidin-1-yl)methanone

Conditions

Conditions	Yield
Stage #1: N-methylcyclohexylamine With iodine; triphenylphosphine In dichloromethane at 0℃; for 0.166667h; Stage #2: 2-chloro-5-nitrobenzoic acid In dichloromethane at 25℃;	96%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 121-44-8
triethylamine

: 67272-98-4
2-chloro-5-nitro-N,N-diethylbenzamide

Conditions

Conditions	Yield
Stage #1: triethylamine With iodine; triphenylphosphine In dichloromethane at 0℃; for 0.166667h; Stage #2: 2-chloro-5-nitrobenzoic acid In dichloromethane at 25℃; Reagent/catalyst;	95%
With iodine; triphenylphosphine In dichloromethane at 0 - 20℃;	75%

: 97-77-8
disulfiram

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 67272-98-4
2-chloro-5-nitro-N,N-diethylbenzamide

Conditions

Conditions	Yield
With di-tert-butyl peroxide; copper(I) bromide In ethyl acetate at 120℃;	95%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 141-43-5
ethanolamine

: 67-64-1
acetone

: N-(1,1-dimethyl-3-oxobutyl)monoethanolammonium 2-chloro-5-nitrobenzoate

Conditions

Conditions	Yield
at 20℃;	95%

...Expand

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 106-49-0
p-toluidine

: 292638-37-0
2-chloro-5-nitro-N-(p-tolyl)benzamide

Conditions

Conditions	Yield
With EDC-polymer In tetrahydrofuran at 20℃; for 4h;	94%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 620-40-6
tribenzylamine

: C21H17ClN2O3

Conditions

Conditions	Yield
Stage #1: tribenzylamine With iodine; triphenylphosphine In dichloromethane at 0℃; for 0.166667h; Stage #2: 2-chloro-5-nitrobenzoic acid In dichloromethane at 25℃;	94%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 6638-79-5
N,O-dimethylhydroxylamine*hydrochloride

: 2-chloro-N-methoxy-N-methyl-5-nitrobenzamide

Conditions

Conditions	Yield
Stage #1: 2-chloro-5-nitrobenzoic acid With N-Bromosuccinimide; triphenylphosphine In dichloromethane at 0℃; for 0.25h; Stage #2: N,O-dimethylhydroxylamine*hydrochloride With triethylamine In dichloromethane at 20℃; for 1h; chemoselective reaction;	94%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 62-53-3
aniline

: 16927-50-7
NPB

Conditions

Conditions	Yield
With copper diacetate; potassium carbonate at 185℃; for 2h; Ullmann Condensation; Inert atmosphere;	93%
With potassium carbonate In water at 150℃; for 2h; Temperature; Time;	90%
With sodium carbonate In N,N-dimethyl-formamide for 4h; Ullmann Condensation; Reflux;	90%

: 5661-71-2
azonane

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 78243-43-3
5-nitro-2-octamethyleneimino-benzoic acid

Conditions

Conditions	Yield
With sodium carbonate In ethanol for 4h; Heating;	93%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: 111-27-3
hexan-1-ol

: 1256568-09-8
hexyl 2-chloro-5-nitrobenzoate

Conditions

Conditions	Yield
With 25 wtpercent H3PO4/ZrO2-TiO2 at 120℃; for 1.66667h; Neat (no solvent); chemoselective reaction;	93%

: 2516-96-3
2-chloro-5-nitrobenzoic acid

: potassium 2-chloro-5-nitrobenzoate

Conditions

Conditions	Yield
With potassium tert-butylate In ethanol at 20℃; for 1h; Inert atmosphere;	93%
With potassium tert-butylate In ethanol at 20℃;

2-Chloro-5-Nitrobenzoic Acid Specification

The 2-Chloro-5-Nitrobenzoic Acid , with the register number 2516-96-3, is also known to us as rarechem al bo 0234;2-chloro-5-nitrobenzoic acid;5-nitro-2-chlorobenzoic acid;labotest-bb lt00847209;2-chloro-5-nitro-benzoicaci;6-chloro-3-nitrobenzoic acid;benzoic acid, 2-chloro-5-nitro-;2-chloro-5-nirtrobenzoic acid .

The physical properties of this chemical are as the following: (1)#H bond acceptors: 5 ; (2)#H bond donors: 1 ; (3)#Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 72.12 ; (5)Index of Refraction: 1.627 ; (6)Molar Refractivity: 44.62 cm³ ; (7)Molar Volume: 125.7 cm³ ; (8)Polarizability: 17.69 ×10^-24 cm³ ; (9)Surface Tension: 67.7 dyne/cm ; (10)Density: 1.602 g/cm³ ; (11)Flash Point: 169.4 °C ; (12)Enthalpy of Vaporization: 63.5 kJ/mol ; (13)Boiling Point: 356.5 °C at 760 mmHg ; (14)Vapour Pressure: 1.06E-05 mmHg at 25°C .

Being a kind of harmful chemicals, it may cause damage to health. Besides, it is dangerous for the environment, for it may present an immediate or delayed danger to one or more components of the environment. Then it is also very irritant to eyes, respiratory system and skin, as it may cause inflammation to the skin or other mucous membranes. So while dealing with it, you should be very cautious. Wear suitable protective clothing and avoid contact with skin and eyes. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice and at the same itme, avoid releasing to the environment and refer to special instructions/safety data sheet.

As for its usage, it is usually used in the intermediate for the pesticide,phamaceutic and organic pigment. Its product categories are including acids and derivatives;aromatic carboxylic acids, amides, anilides, anhydrides & salts;organic acids;miscellaneous;c7;carbonyl compounds;carboxylic acids. And you could obtain this kind of chemical through this way: nitration of the o-chlorobenzoic acid .

In addition, you could get the molecular structure by converting the following data information:
SMILES:O=C(O)c1cc(ccc1Cl)[N+]([O-])=O
InChI:InChI=1/C7H4ClNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey:QUEKGYQTRJVEQC-UHFFFAOYAV

Product Name

2-Chloro-5-nitrobenzoic acid

Synthetic route

2-Chloro-5-Nitrobenzoic Acid Specification

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