2-Chloro-6-nitro-benzoic acid supplier

Name
2-Chloro-6-nitro-benzoic acid
EINECS 226-287-4
CAS No. 5344-49-0
Article Data11
CAS DataBase
Density 1.602 g/cm³
Solubility
Melting Point 164-166°C
Formula C₇H₄ClNO₄
Boiling Point 345.7 °C at 760 mmHg
Molecular Weight 201.566
Flash Point 162.9 °C
Transport Information
Appearance Light yellow crystal powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Chloro-2-carboxy-3-nitrobenzene;2-Chloro-6-nitrobenzoic acid;NSC 1123;
PSA 83.12000
LogP 2.46960

Synthetic route

: 50907-57-8
(2-chloro-6-nitrobenzene)methanol

: 5344-49-0
2-chloro-6-nitrobenzoic acid

Conditions

Conditions	Yield
With water; nitric acid In 1,2-dichloro-benzene at 100 - 140℃; under 7500.75 Torr; for 8.66667h; Product distribution / selectivity;	78%
With water; nitric acid In 1,2-dichloro-benzene at 140℃; for 6h; Product distribution / selectivity;	60%
With potassium permanganate; sodium carbonate In water for 4h; Heating;	250 mg

: 83-42-1
6-chloro-2-nitrotoluene

: 5344-49-0
2-chloro-6-nitrobenzoic acid

Conditions

Conditions	Yield
With bromine at 170℃; Irradiation.Erhitzen der Reaktionsloesung mit Kaliumacetat und Aethanol und Erwaermen des Reaktionsprodukts mit wss. Kalilauge unter Zusatz von Kaliumpermanganat;
With potassium permanganate
With nitric acid
With potassium hydroxide; potassium permanganate In water

: 6575-07-1
2-chloro-6-nitrobenzonitrile

: 5344-49-0
2-chloro-6-nitrobenzoic acid

Conditions

Conditions	Yield
(i) H2SO4, (ii) aq. NaNO2; Multistep reaction;

: 83-42-1
6-chloro-2-nitrotoluene

: 7697-37-2
nitric acid

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 83-42-1
6-chloro-2-nitrotoluene

KMnO4: KMnO4

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 83-42-1
6-chloro-2-nitrotoluene

sunlight: sunlight

: 5344-49-0
2-chloro-6-nitrobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: 700 mg / N-bromosuccinimide, azobisisobutyronitril / CCl4 / 24 h / Heating; Irradiation 2: ethanol / 4 h / Heating 3: 400 mg / 10percent KOH / 4 h / 90 °C 4: 250 mg / KMnO4, Na2CO3 / H2O / 4 h / Heating View Scheme

: 56433-01-3
2-chloro-6-nitrobenzyl bromide

: 5344-49-0
2-chloro-6-nitrobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: ethanol / 4 h / Heating 2: 400 mg / 10percent KOH / 4 h / 90 °C 3: 250 mg / KMnO4, Na2CO3 / H2O / 4 h / Heating View Scheme

: 919076-97-4
acetate of 2-chloro-6-nitrobenzyl alcohol

: 5344-49-0
2-chloro-6-nitrobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 400 mg / 10percent KOH / 4 h / 90 °C 2: 250 mg / KMnO4, Na2CO3 / H2O / 4 h / Heating View Scheme

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

: 5344-49-0
2-chloro-6-nitrobenzoic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: SbCl5; chlorine / <40 2: nitric acid View Scheme

: 348-54-9
2-Fluoroaniline

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 2-chloro-N-(2-fluorophenyl)-6-nitrobenzamide

Conditions

Conditions	Yield
Stage #1: 2-chloro-6-nitrobenzoic acid With thionyl chloride In toluene at 110℃; Stage #2: 2-Fluoroaniline With sodium hydrogencarbonate In 1,4-dioxane; toluene at 20℃;	100%

: 372-19-0
meta-fluoroaniline

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 2-chloro-N-(3-fluorophenyl)-6-nitrobenzamide

Conditions

Conditions	Yield
Stage #1: 2-chloro-6-nitrobenzoic acid With thionyl chloride In toluene at 110℃; Stage #2: meta-fluoroaniline With sodium hydrogencarbonate In 1,4-dioxane; toluene at 20℃;	100%

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 765-30-0
Cyclopropylamine

: 2-chloro-N-cyclopropyl-6-nitrobenzamide

Conditions

Conditions	Yield
Stage #1: 2-chloro-6-nitrobenzoic acid With thionyl chloride In toluene at 110℃; Stage #2: Cyclopropylamine With sodium hydrogencarbonate In 1,4-dioxane; toluene at 5 - 20℃; for 24h; Concentration; Solvent; Temperature;	98%

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

: 80563-87-7
2-chloro-6-nitro-benzoic acid methyl ester

Conditions

Conditions	Yield
Stage #1: 2-chloro-6-nitrobenzoic acid; N,N-dimethyl-formamide With oxalyl dichloride In dichloromethane at 20℃; for 2h; Stage #2: With methanol In dichloromethane	97%

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 143062-84-4
(1R,2S)-2-fluorocyclopropylamine p-toluenesulfonic acid salt

: 2-chloro-N-((1R,2S)-2-fluorocyclopropyl)-6-nitrobenzamide

Conditions

Conditions	Yield
Stage #1: 2-chloro-6-nitrobenzoic acid With thionyl chloride In toluene at 110℃; for 9h; Stage #2: (1R,2S)-2-fluorocyclopropylamine p-toluenesulfonic acid salt With sodium hydrogencarbonate In 1,4-dioxane; toluene at 5 - 20℃;	90.86%

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 2148-56-3
2-chloro-6-aminobenzoic acid

Conditions

Conditions	Yield
With potassium bisulfite; cerium(III) chloride; potassium chloride; 2-methoxy-phenol In ethanol at 65℃; for 8h; Time;	90%
With platinum Hydrogenation;
With ammonium hydroxide; iron(II) sulfate
With iron(II) sulfate

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 95-53-4
o-toluidine

: 2-chloro-6-nitro-N-(o-tolyl)benzamide

Conditions

Conditions	Yield
Stage #1: 2-chloro-6-nitrobenzoic acid With thionyl chloride In N,N-dimethyl-formamide; toluene at 110℃; Stage #2: o-toluidine With sodium hydrogencarbonate In 1,4-dioxane; N,N-dimethyl-formamide; toluene at 5 - 20℃; for 7h;	87.4%

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 371-40-4
4-fluoroaniline

: 2-chloro-N-(4-fluorophenyl)-6-nitrobenzamide

Conditions

Conditions	Yield
Stage #1: 2-chloro-6-nitrobenzoic acid With thionyl chloride In toluene at 120℃; Stage #2: 4-fluoroaniline With sodium hydrogencarbonate In 1,4-dioxane; toluene at 5 - 20℃;	87.1%
Stage #1: 2-chloro-6-nitrobenzoic acid With thionyl chloride; N,N-dimethyl-formamide In toluene for 1.5h; Reflux; Stage #2: 4-fluoroaniline With triethylamine In dichloromethane at 10 - 20℃;

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 67037-01-8
2-(5-phenyl-2H-tetrazole-2-yl)acetohydrazide

: 2-(2-chloro-6-nitrophenyl)-5-((5-phenyl-2H-tetrazol-2-yl)methyl)-1,3,4-oxadiazole

Conditions

Conditions	Yield
In trichlorophosphate Reflux;	80%

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 70931-28-1
1-(4-fluorophenylmethyl)piperazine

: 1-[4-(4-fluorobenzyl)piperazin-1-yl]-(2-chloro-6-nitrophenyl)methanone

Conditions

Conditions	Yield
With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine In N,N-dimethyl-formamide at 50℃; for 0.166667h; Microwave irradiation;	64%

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 106-48-9
4-chloro-phenol

: 76093-27-1
2-(4-chlorophenoxy)-6-nitrobenzoic acid

Conditions

Conditions	Yield
With copper(l) iodide; copper; sodium carbonate In pentan-1-ol for 3h; Heating;	60%

: 95-57-8
2-monochlorophenol

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 76093-23-7
2-(2-chlorophenoxy)-6-nitrobenzoic acid

Conditions

Conditions	Yield
With copper(l) iodide; copper; sodium carbonate In pentan-1-ol for 3h; Heating;	51%

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 108-95-2
phenol

: 76093-21-5
2-nitro-6-phenoxybenzoic acid

Conditions

Conditions	Yield
With copper(l) iodide; copper; sodium carbonate In pentan-1-ol for 3h; Heating;	49%
With potassium hydroxide; copper

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 3-(2,2,2-trifluoroethoxy)aniline

: 2-chloro-6-nitro-N-(3-(2,2,2-trifluoroethoxy)phenyl)benzamide

Conditions

Conditions	Yield
Stage #1: 2-chloro-6-nitrobenzoic acid With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 23℃; for 1h; Inert atmosphere; Stage #2: 3-(2,2,2-trifluoroethoxy)aniline With triethylamine In dichloromethane at 0℃; for 0.25h; Inert atmosphere;	41%

: 107-85-7
1-amino-3-methylbutane

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 2-(3-methylbutylamino)-6-nitrobenzoic acid

Conditions

Conditions	Yield
With potassium carbonate; copper(II) oxide Heating;	38%

: 600-22-6
pyruvic acid methyl ester

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 1575-37-7
4-Bromo-benzene-1,2-diamine

A: 1417411-73-4
8-bromo-1-(2-chloro-6-fluorophenyl)-4-methyl[1,2,4]triazolo[4,3-a]quinoxaline

B: 1417411-74-5
8-bromo-1-(2-chloro-6-fluorophenyl)-4-methyl[1,2,4]triazolo[4,3-a]quinoxaline

Conditions

Conditions	Yield
Stage #1: pyruvic acid methyl ester; 4-Bromo-benzene-1,2-diamine In toluene for 3h; Dean-Stark; Reflux; Stage #2: With trichlorophosphate at 120℃; for 2h; Stage #3: 2-chloro-6-nitrobenzoic acid	A 13.7% B 29%

...Expand

: 33228-45-4
4-hexylaniline

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 1208255-45-1
2-chloro-N-(4-hexylphenyl)-6-nitrobenzamide

Conditions

Conditions	Yield
With EDC-polymer In tetrahydrofuran at 20℃; for 4h;	23%

: 554-84-7
meta-nitrophenol

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 860699-16-7
2-nitro-6-(3-nitro-phenoxy)-benzoic acid

Conditions

Conditions	Yield
With copper(l) iodide; copper; potassium carbonate

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 601-99-0
2-hydroxy-6-nitrobenzoic acid

Conditions

Conditions	Yield
With copper(l) iodide; copper; potassium carbonate
Multi-step reaction with 3 steps 1: KOH; copper-powder 2: HNO3 3: aqueous NaOH View Scheme

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 50425-14-4
2-chloro-6-nitro-benzoic acid chloride

Conditions

Conditions	Yield
With thionyl chloride
With thionyl chloride
With thionyl chloride; N,N-dimethyl-formamide In dichloromethane at 20℃;
With thionyl chloride In dichloromethane; N,N-dimethyl-formamide at 40℃; for 4h;
With thionyl chloride In toluene at 110℃;

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 62-53-3
aniline

: 37415-40-0
2-anilino-6-nitro-benzoic acid

Conditions

Conditions	Yield
With copper; potassium carbonate

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 118-92-3
anthranilic acid

: 94654-71-4
2-(2-Carboxy-phenylamino)-6-nitro-benzoic acid

Conditions

Conditions	Yield
With copper; potassium carbonate In 2-ethoxy-ethanol at 130℃; for 0.5h;

: 5344-49-0
2-chloro-6-nitrobenzoic acid

: 100-46-9
benzylamine

: 2-amino-N-benzyl-6-chloro-benzamide

Conditions

Conditions	Yield
Multistep reaction;

2-Chloro-6-nitro-benzoic acid Specification

This chemical is called Benzoic acid, 2-chloro-6-nitro-, and its CAS registry number is 5344-49-0. With the molecular formula of C₇H₄ClNO₄, its product categories are Blocks; Carboxes; NitroCompounds; Acids and Derivatives; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; API Intermediates. In addition, this chemical should be sealed in the cool and dry place.

Other characteristics of the Benzoic acid, 2-chloro-6-nitro- can be summarised as followings: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.28; (4)ACD/LogD (pH 7.4): -1.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.12 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 44.62 cm³; (15)Molar Volume: 125.7 cm³; (16)Polarizability: 17.69×10^-24cm³; (17)Surface Tension: 67.7 dyne/cm; (18)Density: 1.602 g/cm³; (19)Flash Point: 162.9 °C; (20)Enthalpy of Vaporization: 62.24 kJ/mol; (21)Boiling Point: 345.7 °C at 760 mmHg; (22)Vapour Pressure: 2.3E-05 mmHg at 25°C.

Uses of this chemical: The Benzoic acid, 2-chloro-6-nitro- could react with phenol, and obtain the 2-nitro-6-phenoxy-benzoic acid. This reaction needs the reagent of KOH, copper-powder.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1c(cccc1Cl)[N+]([O-])=O
2.InChI: InChI=1/C7H4ClNO4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,(H,10,11)
3.InChIKey: JYHOMEFOTKWQPN-UHFFFAOYAP

Product Name

2-Chloro-6-nitro-benzoic acid

Synthetic route

2-Chloro-6-nitro-benzoic acid Specification

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