3-Nitrophthalic acid supplier

Name
3-Nitrophthalic acid
EINECS 210-030-8
CAS No. 603-11-2
Article Data74
CAS DataBase
Density 1.671 g/cm³
Solubility 20 g/L (25 °C) in water
Melting Point 210 °C (dec.)(lit.)
Formula C₈H₅NO₆
Boiling Point 441.3 °C at 760 mmHg
Molecular Weight 211.131
Flash Point 199.4 °C
Transport Information
Appearance pale yellow crystals
Safety 26-36/39-37/39-36
Risk Codes 36/37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms Phthalic acid, 3-nitro- (6CI,7CI,8CI);3-Nitro-1,2-benzenedicarboxylic acid;
PSA 120.42000
LogP 1.51440

Synthetic route

: 13365-26-9
dimethyl 3-nitrophthalate

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol for 2h; Reflux;	93%

: 85-44-9
phthalic anhydride

A: 610-27-5
4-nitrophthalic acid

B: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at 80 - 110℃;	A 80% B n/a
With sulfuric acid; nitric acid
With sulfuric acid; nitric acid at 25℃;

: ammonium salt of 3-nitrophthalic acid

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With hydrogenchloride In water pH=2;	56%

: 85-44-9
phthalic anhydride

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With boron trifluoride; nitric acid; acetic acid
durch Nitrierung;
durch Nitrieren;

: 42760-46-3
7-nitro-3H-isobenzofuran-1-one

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With nitric acid im geschlossenen Rohr;

: 91-20-3
naphthalene

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With nitric acid

: 65399-18-0
4-nitrophthalide

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With nitric acid im geschlossenen Rohr;

: 86-57-7
1-Nitronaphthalene

A: 65399-18-0
4-nitrophthalide

B: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With chromium(VI) oxide; acetic acid

: 86-57-7
1-Nitronaphthalene

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With potassium permanganate
With chromium(VI) oxide; acetic acid

: 83-41-0
2,3-dimethylnitrobenzene

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With nitric acid at 170 - 180℃; im geschlossenen Rohr;
Stage #1: 2,3-dimethylnitrobenzene With oxygen; nitric acid at 145 - 150℃; under 26252.6 - 30003 Torr; for 8h; Stage #2: With oxygen; nitric acid at 130 - 140℃; under 26252.6 - 30003 Torr; for 30h; Pressure; Temperature;	25.2 g

: 91974-35-5
ethyl-(4,5-dinitro-[1]naphthyl)-ether

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
bei der Oxydation;

: 161851-52-1
6-nitrosalicylaldehyde

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With potassium permanganate

: 112534-15-3
(2-carboxy-6-nitro-phenyl)-glyoxylic acid

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With permanganate(VII) ion

: 112534-27-7
(2-carboxy-3-nitro-phenyl)-glyoxylic acid

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With permanganate(VII) ion

: 605-71-0
1,5-dinitronaphthalene

A: 99-34-3
3,5-dinitrobenzoic acid

B: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With nitric acid at 150℃; im geschlossenen Rohr;

: 88-99-3
benzene-1,2-dicarboxylic acid

A: 610-27-5
4-nitrophthalic acid

B: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With sulfuric acid; nitric acid
With nitric acid at 30℃;
With sulfuric acid; nitric acid

: 88-99-3
benzene-1,2-dicarboxylic acid

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
durch Nitrierung;

: 89939-50-4
3-Nitro-5-amino-phthalsaeure

: 603-11-2
3-nitrophthalic acid

Conditions

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

: 89939-48-0
3-Nitro-4-amino-phthalsaeure

: 603-11-2
3-nitrophthalic acid

Conditions

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

: 83-41-0
2,3-dimethylnitrobenzene

A: 1975-50-4
2-methyl-3-nitrobenzic acid

B: 13506-76-8
2-methyl-6-nitrobenzoic acid

C: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With potassium permanganate; cetyltrimethylammonim bromide In water at 75℃; for 4h; Product distribution; effect of the amount of KMnO4; further catalysts;
With potassium permanganate; cetyltrimethylammonim bromide In water at 75℃; for 4h; Yield given. Yields of byproduct given;
With potassium permanganate; tetrabutylammomium bromide In water
With oxygen; nitric acid at 130 - 140℃; under 16501.7 - 18751.9 Torr; for 7h; Temperature; Pressure;

...Expand

: 4685-53-4
6,8-Dimethyl-1-nitro-7H-benzocyclohepten-7-on

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With potassium permanganate

: 1978-06-9
1,2-Bis(trifluoromethyl)-3-nitrobenzene

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With sulfuric acid at 150℃;

: 64726-10-9
1,1,2,2-Tetrafluor-3-nitro-benzocyclobuten

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
With sulfuric acid; sulfur trioxide

: 607-32-9
5-nitroisoquinoline

: 7697-37-2
nitric acid

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
at 180 - 200℃;

: 65399-18-0
4-nitrophthalide

: 7697-37-2
nitric acid

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
im geschlossenen Rohr;

: 65399-18-0
4-nitrophthalide

: 64-19-7
acetic acid

CrO3: CrO3

: 603-11-2
3-nitrophthalic acid

...Expand

: 607-32-9
5-nitroisoquinoline

permanganate: permanganate

: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
at 60℃; in neutraler Loesung;

: 85-44-9
phthalic anhydride

HNO3+H2SO4: HNO3+H2SO4

A: 610-27-5
4-nitrophthalic acid

B: 603-11-2
3-nitrophthalic acid

...Expand

: 88-99-3
benzene-1,2-dicarboxylic acid

HNO3+H2SO4: HNO3+H2SO4

: 603-11-2
3-nitrophthalic acid

: 7697-37-2
nitric acid

: 88-99-3
benzene-1,2-dicarboxylic acid

A: 610-27-5
4-nitrophthalic acid

B: 603-11-2
3-nitrophthalic acid

Conditions

Conditions	Yield
at 30℃; Product distribution;

...Expand

: 67-56-1
methanol

: 603-11-2
3-nitrophthalic acid

: 13365-26-9
dimethyl 3-nitrophthalate

Conditions

Conditions	Yield
Stage #1: 3-nitrophthalic acid With thionyl chloride Heating / reflux; Stage #2: methanol Heating / reflux;	100%
With sulfuric acid
With sulfuric acid Reflux;

: 186581-53-3, 908094-01-9
diazomethane

: 603-11-2
3-nitrophthalic acid

: 13365-26-9
dimethyl 3-nitrophthalate

Conditions

Conditions	Yield
In diethyl ether	100%

: 603-11-2
3-nitrophthalic acid

: 641-70-3
3-nitrophthalic acid anhydride

Conditions

Conditions	Yield
With thionyl chloride; N,N-dimethyl-formamide In cyclohexane at 5 - 10℃; for 3.83333h; Time; Reagent/catalyst; Solvent; Temperature; Vilsmeier Reaction; Reflux;	98.9%
With acetic anhydride for 2h; Reflux;	95%
With acetic anhydride for 2h; Reflux;	95.8%

: 67-56-1
methanol

: 603-11-2
3-nitrophthalic acid

: 21606-04-2
methyl 2-carboxy-3-nitrobenzoate

Conditions

Conditions	Yield
With thionyl chloride at 5℃; for 20 - 25h; Heating / reflux;	98%
With thionyl chloride at -10 - 10℃; for 10h; Reflux;	98.4%
With hydrogenchloride In methanol Heating;	77%

: 603-11-2
3-nitrophthalic acid

: 105903-25-1
methyl 4-amino-3-methoxy-2-naphthoate

: 1264626-10-9
3-methoxy-4-(4-nitro-1,3-dioxo-1,3-dihydroisoindol-2-yl)naphthalene-2-carboxylic acid methyl ester

Conditions

Conditions	Yield
at 140℃; for 0.5h;	98%

: 603-11-2
3-nitrophthalic acid

: 603-62-3
4-nitro-1H-isoindole-1,3(2H)-dione

Conditions

Conditions	Yield
With acetic acid; urea at 117℃; for 3h;	98%
With acetic acid; urea for 4h; Reflux;	87%
With urea In acetic acid at 140℃; for 4h;	82%
With ammonium carbonate at 220 - 230℃; for 1h;
With urea In N,N-dimethyl-formamide at 110℃; for 5h;

: 603-11-2
3-nitrophthalic acid

: 5434-20-8
3-aminophthalic acid

Conditions

Conditions	Yield
With hydrogen; Pd in AV-17-8-Pd In ethanol at 40℃;	97%
With hydrogen; Pd in AV-17-8-Pd In ethanol at 40℃; under 760 Torr; Rate constant;	97%
With hydrogen; palladium-containing anion exchanger AB-17-8-Pd In ethanol at 20 - 40℃; under 750.06 Torr; Kinetics; Product distribution; Further Variations:; Catalysts;	97%

: 603-11-2
3-nitrophthalic acid

: 619-45-4
4-methoxycarbonyl aniline

: 4-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-benzoic acid methyl ester

Conditions

Conditions	Yield
With chloro-trimethyl-silane In N,N-dimethyl-formamide cyclocondensation; Heating;	96%

: 96-31-1
N,N'-Dimethylurea

: 603-11-2
3-nitrophthalic acid

: Ethyl S-(acetylamino)-1,2,3,4-tetrahydro-2-methyl-7-nitro-8-isoquinolinepropanoate

Conditions

Conditions	Yield
In ethanol	96%

: 71-23-8
propan-1-ol

: 603-11-2
3-nitrophthalic acid

: 13325-35-4
3-nitrophthalic acid di-n-propyl ester

Conditions

Conditions	Yield
With sulfuric acid for 15h; Dean-Stark; Reflux;	96%

: 603-11-2
3-nitrophthalic acid

: 74-88-4
methyl iodide

: 13365-26-9
dimethyl 3-nitrophthalate

Conditions

Conditions	Yield
With sodium hydrogencarbonate In N,N-dimethyl-formamide at 20 - 60℃; for 4h;	95%
With sodium hydrogencarbonate In N,N-dimethyl-formamide at 20 - 60℃; for 4h;	95%
With sodium hydrogencarbonate In N,N-dimethyl-formamide Inert atmosphere; Heating;	91%
With 1,8-diazabicyclo[5.4.0]undec-7-ene In acetonitrile for 16h;

: 603-11-2
3-nitrophthalic acid

: 71-36-3
butan-1-ol

: 13325-37-6
3-nitrophthalic acid di-n-butyl ester

Conditions

Conditions	Yield
With sulfuric acid for 15h; Dean-Stark; Reflux;	95%

: 603-11-2
3-nitrophthalic acid

: 149-73-5
trimethyl orthoformate

: 21606-04-2
methyl 2-carboxy-3-nitrobenzoate

Conditions

Conditions	Yield
With sulfuric acid In methanol at 59 - 65℃; for 15 - 20h; Heating / reflux; Industry scale;	94.7%
With sulfuric acid In methanol

: 603-11-2
3-nitrophthalic acid

: 106860-70-2
3-Nitroso-phthalic acid

Conditions

Conditions	Yield
With hydrogenchloride; disodium hydrogenphosphate; sodium dihydrogenphosphate In water porous cathode and anode;	93%
In water electrolysis in phosphate buffer;	95 % Spectr.

: 603-11-2
3-nitrophthalic acid

: 121-92-6
3-nitrobenzoic acid

Conditions

Conditions	Yield
With acetic acid; silver carbonate In dimethyl sulfoxide at 120℃; for 16h; regioselective reaction;	92%

: 603-11-2
3-nitrophthalic acid

: 3-aminophthalic acid hydrochloride

Conditions

Conditions	Yield
Stage #1: 3-nitrophthalic acid With 10 wt% Pd(OH)2 on carbon; ammonium formate In methanol at 65℃; Stage #2: With hydrogenchloride In methanol; water at 40℃; for 1h; Temperature; Solvent;	90.6%

: 603-11-2
3-nitrophthalic acid

: 106-49-0
p-toluidine

: 53555-10-5
4-nitro-2-p-tolyl-isoindole-1,3-dione

Conditions

Conditions	Yield
With chloro-trimethyl-silane In N,N-dimethyl-formamide cyclocondensation; Heating;	90%

: 603-11-2
3-nitrophthalic acid

: 56-40-6
glycine

: 15784-35-7
2-(4-nitro-1,3-dioxoisoindolin-2-yl)acetic acid

Conditions

Conditions	Yield
With chloro-trimethyl-silane In N,N-dimethyl-formamide at 165 - 170℃; for 1.5h; cyclocondensation;	90%
With propionic acid at 170 - 180℃;	84%

: 603-11-2
3-nitrophthalic acid

: 6946-22-1
3-aminophthalic acid hydrochloride

Conditions

Conditions	Yield
With sodium hydroxide; acetic acid; PtO2 In water; acetone	90%
With sodium hydroxide; acetic acid; PtO2 In water; acetone	90%
Stage #1: 3-nitrophthalic acid With palladium 10% on activated carbon; hydrogen In ethanol at 20 - 25℃; under 1500.15 Torr; for 3h; Autoclave; Stage #2: With hydrogenchloride In acetone at 10℃; Solvent; Pressure;	65 g
Stage #1: 3-nitrophthalic acid With palladium on activated charcoal; hydrogen at 55 - 65℃; under 5250.53 - 6750.68 Torr; for 12h; Large scale; Stage #2: With hydrogenchloride In water at -5 - 5℃; for 1h; Large scale;

: 603-11-2
3-nitrophthalic acid

: 75-03-6
ethyl iodide

: 62351-79-5
3-nitrobenzene-1,2-dicarboxylate ester

Conditions

Conditions	Yield
Stage #1: 3-nitrophthalic acid With sulfuric acid In ethanol; water at 80℃; Stage #2: ethyl iodide With potassium carbonate In N,N-dimethyl-formamide	90%
Stage #1: 3-nitrophthalic acid With sulfuric acid In ethanol for 6h; Reflux; Stage #2: ethyl iodide With potassium carbonate In N,N-dimethyl-formamide at 20℃;	89.9%

: 603-11-2
3-nitrophthalic acid

: 24666-56-6
rac-α-aminoglutarimide hydrochloride

: 19171-18-7
4-NT

Conditions

Conditions	Yield
With sodium acetate; acetic acid at 105 - 115℃; Large scale;	90%
With sodium acetate; acetic acid In water at 116 - 118℃; for 16h;	86.2%
With 1,1'-carbonyldiimidazole In acetonitrile at 20 - 80℃; Inert atmosphere;	28.2 g

: 603-11-2
3-nitrophthalic acid

: 62-53-3
aniline

: 19065-85-1
3-nitro-N-phenylphthalimide

Conditions

Conditions	Yield
With chloro-trimethyl-silane In N,N-dimethyl-formamide cyclocondensation; Heating;	85%

: 603-11-2
3-nitrophthalic acid

: 26429-41-4
1,2-dibromo-3-nitrobenzene

Conditions

Conditions	Yield
With Bromotrichloromethane; trichloroisocyanuric acid; bromine at 10 - 120℃; for 60h; Photolysis;	85%

: 603-11-2
3-nitrophthalic acid

: 150-13-0
4-amino-benzoic acid

: C7H7NO2*C8H5NO6

Conditions

Conditions	Yield
In methanol for 0.25h;	83.27%

: 603-11-2
3-nitrophthalic acid

: 100-10-7
4-dimethylamino-benzaldehyde

: C9H11NO*C8H5NO6

Conditions

Conditions	Yield
In methanol at 20℃; for 336h;	83.26%

: 603-11-2
3-nitrophthalic acid

: 108-24-7
acetic anhydride

: 6296-53-3
3-acetylaminophthalic anhydride

Conditions

Conditions	Yield
With palladium 10% on activated carbon; hydrogen at 80 - 115℃; under 7500.75 Torr; Temperature; Autoclave;	83%

: 603-11-2
3-nitrophthalic acid

: C47H65N15O9S

: C54H66N16O10S

Conditions

Conditions	Yield
In ethanol at 4 - 20℃; pH=Ca. 9;	82%

: 603-11-2
3-nitrophthalic acid

: 150-13-0
4-amino-benzoic acid

: 71494-65-0
3-nitro-N-(p-carboxyphenyl)phthalimide

Conditions

Conditions	Yield
With chloro-trimethyl-silane In N,N-dimethyl-formamide cyclocondensation; Heating;	81%

3-Nitrophthalic acid Chemical Properties

Molecule structure of 3-Nitrophthalic acid (CAS NO.603-11-2):

IUPAC Name: 3-Nitrophthalic acid
Molecular Weight: 211.1284 g/mol
Molecular Formula: C₈H₅NO₆
Density: 1.671 g/cm³
Melting Point: 210 °C (dec.)(lit.)
Boiling Point: 441.3 °C at 760 mmHg
Flash Point: 199.4 °C
Index of Refraction: 1.66
Molar Refractivity: 46.65 cm³
Molar Volume: 126.3 cm³
Surface Tension: 88 dyne/cm
Enthalpy of Vaporization: 73.63 kJ/mol
Vapour Pressure: 1.45E-08 mmHg at 25 °C
Water Solubility: 20 g/L (25 °C)
XLogP3: 0.7
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 2
Exact Mass: 211.011687
MonoIsotopic Mass: 211.011687
Topological Polar Surface Area: 118
Heavy Atom Count: 15
Canonical SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)C(=O)O
InChI: InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey: KFIRODWJCYBBHY-UHFFFAOYSA-N
EINECS: 210-030-8
Product Categories: Phthalic Acids, Esters and Derivatives; Organics; Organic acids; Dyes intermediates; C8; Carbonyl Compounds; Carboxylic Acids

3-Nitrophthalic acid Uses

3-Nitrophthalic acid is mainly used as sensitive materials and pharmaceutical intermediates. It is available for the preparation of medicines, dyes, crop protection agents in organic synthesis.

3-Nitrophthalic acid Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38-41
R36/37/38:Irritating to eyes, respiratory system and skin.
R41:Risk of serious damage to the eyes.
Safety Statements: 26-36/39-37/39-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S39:Wear eye / face protection.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant
HS Code: 29173980
A preparative hazard. When heated to decomposition it emits toxic fumes of NO_x.

3-Nitrophthalic acid Specification

3-Nitrophthalic acid (CAS NO.603-11-2) is also named as AI3-02074 ; NSC 3120 ; 1,2-Benzenedicarboxylic acid, 3-nitro- ; Phthalic acid, 3-nitro- (8CI) . 3-Nitrophthalic acid (CAS NO.603-11-2) is pale yellow crystals. It is soluble in water, methanol, ethanol, slightly soluble in ether, insoluble in chloroform, carbon tetrachloride, carbon disulfide, benzene. 3-Nitrophthalic acid is stable and incompatible with strong oxidizing agents.

Product Name

3-Nitrophthalic acid

Synthetic route

3-Nitrophthalic acid Chemical Properties

3-Nitrophthalic acid Uses

3-Nitrophthalic acid Safety Profile

3-Nitrophthalic acid Specification

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