Nitroterephthalic acid supplier

Name
Nitroterephthalic acid
EINECS 210-217-4
CAS No. 610-29-7
Article Data28
CAS DataBase
Density 1.671 g/cm³
Solubility
Melting Point 270-272 °C(lit.)
Formula C₈H₅NO₆
Boiling Point 454.781 °C at 760 mmHg
Molecular Weight 211.131
Flash Point 205.463 °C
Transport Information
Appearance white to off-white powder
Safety 26-36-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Terephthalicacid, nitro- (6CI,7CI,8CI);2-Nitro-p-phthalic acid;2-Nitrobenzene-1,4-dicarboxylic acid;2-Nitroterephthalic acid;NSC 48124;Terephthalic acid, nitro-;
PSA 120.42000
LogP 1.51440

Synthetic route

: 5292-45-5
dimethyl 2-nitroterephthalate

: 610-29-7
2-nitroterephthalic acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol at 60℃; for 5h;	98%

: 100-21-0
terephthalic acid

: 610-29-7
2-nitroterephthalic acid

Conditions

Conditions	Yield
With fuming sulphuric acid; nitric acid at 25 - 90℃; for 4h;	85%
With sulfuric acid; nitric acid at 5 - 60℃; for 1h;	68.6%
With sulfuric acid; nitric acid

: 96-98-0
4-methyl-3-nitrobenzoic acid

: 610-29-7
2-nitroterephthalic acid

Conditions

Conditions	Yield
With sodium hydroxide; permanganate(VII) ion

: 89-58-7
mononitro-p-xylene

: 610-29-7
2-nitroterephthalic acid

Conditions

Conditions	Yield
With potassium hydroxide; potassium hexacyanoferrate(III)

: 84540-59-0
4-methyl-3-nitrobenzyl chloride

: 610-29-7
2-nitroterephthalic acid

Conditions

Conditions	Yield
With permanganate(VII) ion

: 85062-97-1
4-methyl-2-nitro-benzyl chloride

: 610-29-7
2-nitroterephthalic acid

Conditions

Conditions	Yield
With air; nitric acid

: 2-oxo-2,2'-(nitro-p-phenylene)-di-acetic acid

: 610-29-7
2-nitroterephthalic acid

Conditions

Conditions	Yield
bei der Oxydation;

: 778-94-9
2-nitro-4-trifluoromethyl-benzonitrile

: 7664-93-9
sulfuric acid

: 610-29-7
2-nitroterephthalic acid

Conditions

Conditions	Yield
at 190℃;

: 100-21-0
terephthalic acid

: 7697-37-2
nitric acid

: 610-29-7
2-nitroterephthalic acid

: 100-21-0
terephthalic acid

: 7697-37-2
nitric acid

: 7783-05-3
disulfuric acid

: 610-29-7
2-nitroterephthalic acid

...Expand

: 10472-64-7
2,5-diisopropylnitrobenzene

: 7697-37-2
nitric acid

: 610-29-7
2-nitroterephthalic acid

Conditions

Conditions	Yield
at 180℃;

: 84540-59-0
4-methyl-3-nitrobenzyl chloride

permanganate: permanganate

: 610-29-7
2-nitroterephthalic acid

: 858805-53-5
4-methyl-3,β-dinitro-styrene

KMnO4: KMnO4

: 610-29-7
2-nitroterephthalic acid

: 939-79-7
4-cyano-2-nitrotoluene

: 610-29-7
2-nitroterephthalic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sulfuric acid / Hydrolysis 2: permanganate; NaOH-solution View Scheme

: 104-85-8
para-methylbenzonitrile

: 610-29-7
2-nitroterephthalic acid

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: durch Nitrierung 2: sulfuric acid / Hydrolysis 3: permanganate; NaOH-solution View Scheme

: 552-16-9
ortho-nitrobenzoic acid

A: 610-29-7
2-nitroterephthalic acid

B: 603-11-2
3-nitrophthalic acid

: 5372-81-6
dimethyl aminoterephthalate

: 610-29-7
2-nitroterephthalic acid

Conditions

Conditions	Yield
With sulfuric acid; sodium nitrite In water at 0 - 5℃; for 1h;

: 959-26-2
Bis(2-Hydroxyethyl)terephthalat

: 610-29-7
2-nitroterephthalic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium hydroxide; water / 0.67 h / 70 °C 2: nitric acid; sulfuric acid / 1 h / 5 - 60 °C View Scheme

: 610-29-7
2-nitroterephthalic acid

: 10312-55-7
3-aminoterephthalic acid

Conditions

Conditions	Yield
With potassium hydroxide; hydrogen; palladium on activated charcoal In water under 2585.7 Torr; for 12h;	100%
With palladium 10% on activated carbon; ammonium formate; silica gel In methanol for 1.5h; Milling;	99%
With hydrogen In ethanol at 20℃; under 760.051 Torr; for 4h;	92%

: 64479-78-3
N-(pyrid-4-yl)isonicotinamide

: 610-29-7
2-nitroterephthalic acid

: 5893-61-8, 14690-98-3, 15305-21-2, 16842-73-2, 22992-79-6, 34729-06-1, 133386-02-4, 133386-04-6
copper(II) formate tetrahydrate

: C8H3NO6(2-)*C11H9N3O*Cu(2+)

Conditions

Conditions	Yield
Stage #1: 2-nitroterephthalic acid; copper(II) formate tetrahydrate In methanol at 39.84℃; for 24h; Inert atmosphere; Stage #2: N-(pyrid-4-yl)isonicotinamide In methanol at 39.84℃; for 24h;	98%

...Expand

: 610-29-7
2-nitroterephthalic acid

: (3S,4S)-N3,N4-bis(((1S,2R)-2-phenylcyclopropyl)carbamoyl)pyrrolidine-3,4-dicarboxamide hydrochloride

: (3S,3’S,4S,4’S)-1,1’-(2-nitroterephthaloyl)-bis(N3,N4-bis((1S,2R)-2-phenylcyclopropyl)pyrrolidine-3,4-dicarboxamide)

Conditions

Conditions	Yield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 23℃; for 18h;	98%

: 610-29-7
2-nitroterephthalic acid

: 121-92-6
3-nitrobenzoic acid

Conditions

Conditions	Yield
With acetic acid; silver carbonate In dimethyl sulfoxide at 120℃; for 16h; regioselective reaction;	93%
With copper(l) iodide; triethylamine In dimethyl sulfoxide at 120℃; under 760.051 Torr; for 20h; Inert atmosphere; Schlenk technique; regioselective reaction;	41%

: 610-29-7
2-nitroterephthalic acid

: (2-nitro-1,4-phenylene)dimethanol

Conditions

Conditions	Yield
With borane-THF In tetrahydrofuran at 0 - 40℃; for 19h;	92%
With dimethylsulfide borane complex In tetrahydrofuran at 0 - 40℃; for 18h; Inert atmosphere;	92%
With borane-THF In tetrahydrofuran at 40℃; Inert atmosphere; Cooling with ice;	90%
With diborane

: zirconyl chloride octahydrate

: 610-29-7
2-nitroterephthalic acid

: 5.06C8H3NO6(2-)*6Zr(4+)*4O(2-)*5.88HO(1-)*1.88H2O

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran at 80℃; for 24h; Sealed tube;	92%

: copper(II) nitrate hexahydrate

: 610-29-7
2-nitroterephthalic acid

: 67-68-5
dimethyl sulfoxide

: 1135-32-6
trans-1,2-bis(4-pyridyl)ethylene

: {[Cu2(2-NO2-1,4-benzenedicarboxylate)2(1,2-bis(4-pyridyl)ethylene)2]*3DMSO}n

Conditions

Conditions	Yield
With air In N,N-dimethyl-formamide at 120℃; for 24h; Autoclave;	90%

...Expand

: cadmium(II) nitrate tetrhydrate

: 610-29-7
2-nitroterephthalic acid

: N-(pyridin-4-yl)-4-(pyridin-4-yl)-1,8-naphthalimide

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

: [Cd2(2-nitrobenzene-1,4-dicarboxylate)2(N-(pyridin-4-yl)-4-(pyridin-4-yl)-1,8-naphthalimide)2]*3.5DMF*8H2O

Conditions

Conditions	Yield
at 80℃; for 36h;	90%

...Expand

: 66-71-7
1,10-Phenanthroline

: copper(II) choride dihydrate

: 610-29-7
2-nitroterephthalic acid

: 7732-18-5
water

: 832672-75-0, 639029-41-7
([Cu(2-nitro-1,4-benzenedicarboxylate dianion)(1,10-phenanthroline)](H2O))n

Conditions

Conditions	Yield
In water High Pressure; mixt. of Cu-compound, organic ligands and water sealed in a stainless-steel reactor with Teflon liner, heated at 150°C for 3 h, cooled; elem. anal.;	87%

...Expand

: cobalt(II) nitrate hexahydrate

: 610-29-7
2-nitroterephthalic acid

: 7732-18-5
water

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

: {[Co(2-nitroterephthalic acid(-2H))(H2O)]·1.25H2O}n

Conditions

Conditions	Yield
at 100℃; for 83.3333h; Heating;	87%

...Expand

: 553-26-4
4,4'-bipyridine

: zinc(II) nitrate hexahydrate

: 610-29-7
2-nitroterephthalic acid

: C8H3NO6(2-)*C10H8N2*Zn(2+)

Conditions

Conditions	Yield
In ethanol; N,N-dimethyl-formamide at 89.84℃; for 24h; Inert atmosphere;	87%

...Expand

: 123-32-0
2,5-dimethyl-pyrazine

: 610-29-7
2-nitroterephthalic acid

: silver nitrate

: C8H4NO6(1-)*C6H8N2*Ag(1+)

Conditions

Conditions	Yield
In acetonitrile at 110℃; for 92h;	85%

...Expand

: 1124-11-4
Tetramethylpyrazine

: 610-29-7
2-nitroterephthalic acid

: silver nitrate

: C8H4NO6(1-)*C8H12N2*Ag(1+)

Conditions

Conditions	Yield
In acetonitrile at 110℃; for 92h;	85%

...Expand

: 553-26-4
4,4'-bipyridine

: 610-29-7
2-nitroterephthalic acid

: silver nitrate

: C8H4NO6(1-)*Ag(1+)*C10H8N2

Conditions

Conditions	Yield
In acetonitrile at 110℃; for 92h;	85%

...Expand

: 66-71-7
1,10-Phenanthroline

: copper(II) choride dihydrate

: 610-29-7
2-nitroterephthalic acid

: [Cu4(2-nitro-1,4-benzenedicarboxylate)4(1,10-phenanthroline)4(H2O)4] dihydrate

Conditions

Conditions	Yield
In N,N-dimethyl-formamide mixt. of stoich. amt. of CuCl2, nitro compd. and phen were dissolved in DMF; crystn. at room temp for 1 mo, elem. anal.;	83%

...Expand

: copper(II) nitrate trihydrate

: 610-29-7
2-nitroterephthalic acid

: Cu2(μ2-OH)(μ3-OH)(μ4-2-nitro-benzene-1,4-dicarboxylate)(H2O)

Conditions

Conditions	Yield
With Et3N In water High Pressure; Cu-salt:acid:H2O molar ratio 1:1:4163, Et3N was added, heating in stainless-steel reactor with teflon liner at 170°C for 2 d; cooling, crystals were collected by filtration, elem. anal.;	83%

: 610-29-7
2-nitroterephthalic acid

: 66881-27-4
2,2,2-Trinitroethyl hydrogen sulfate

: 2-Nitro-terephthalic acid bis-(2,2,2-trinitro-ethyl) ester

Conditions

Conditions	Yield
at 100℃; for 15h;	78%

: 103-83-3
N,N'-dimethylbenzylamine

: 610-29-7
2-nitroterephthalic acid

: dibenzyl 2-nitroterephthalate

Conditions

Conditions	Yield
Stage #1: 2-nitroterephthalic acid With propynoic acid ethyl ester In 1,4-dioxane at 80℃; Stage #2: N,N'-dimethylbenzylamine In 1,4-dioxane at 80℃; for 12h;	77%

: 67-56-1
methanol

: 610-29-7
2-nitroterephthalic acid

: 5292-45-5
dimethyl 2-nitroterephthalate

Conditions

Conditions	Yield
With thionyl chloride at 80℃; for 5h;	76%
With thionyl chloride Heating;	75%
With sulfuric acid Reflux;	27%

: 3530-15-2
3,5-dimethyl-4H-1,2,4-triazol-4-amine

: 610-29-7
2-nitroterephthalic acid

: silver nitrate

: 2C8H4NO6(1-)*2Ag(1+)*2C4H8N4

Conditions

Conditions	Yield
Stage #1: 3,5-dimethyl-4H-1,2,4-triazol-4-amine; 2-nitroterephthalic acid; silver nitrate With air In water for 0.5h; Stage #2: In water at 100℃; for 72h; Autoclave;	72.24%

...Expand

: zinc(II) nitrate hexahydrate

: 64479-78-3
N-(pyrid-4-yl)isonicotinamide

: 610-29-7
2-nitroterephthalic acid

: C8H3NO6(2-)*Zn(2+)*C11H9N3O

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 119.84℃; for 24h; Inert atmosphere;	72%

...Expand

: 290-37-9
1,4-pyrazine

: 610-29-7
2-nitroterephthalic acid

: 7732-18-5
water

: silver nitrate

: C8H4NO6(1-)*C4H4N2*Ag(1+)*2H2O

Conditions

Conditions	Yield
In acetonitrile at 110℃; for 92h;	72%

...Expand

: 67-56-1
methanol

: 610-29-7
2-nitroterephthalic acid

: 55737-66-1
2-nitro-4-methoxycarbonylbenzoic acid

Conditions

Conditions	Yield
With sulfuric acid for 1.25h; Heating;	71%
With sulfuric acid for 1h; Heating;	55%
With hydrogenchloride
With sulfuric acid for 1h; Heating;	14.7 g

: 2633-01-4
3,3'-(diazene-1,2-diyl)dipyridine

: cadmium(II) nitrate tetrhydrate

: 610-29-7
2-nitroterephthalic acid

: Cd(2+)*C10H8N4*C8H3NO6(2-)

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 20℃;	71%

...Expand

: 610-29-7
2-nitroterephthalic acid

: 10026-11-6
zirconium(IV) chloride

: [ZrO(2-nitro-1,4-benzendicarboxylate)]

Conditions

Conditions	Yield
In acetic acid; N,N-dimethyl-formamide at 240℃; for 0.0166667h; Microwave irradiation;	70.3%

: 108-78-1
2,4,6-triamino-s-triazine

: 610-29-7
2-nitroterephthalic acid

: 7732-18-5
water

: silver nitrate

: 2.5H2O*2Ag(1+)*2C3H6N6*C8H3NO6(2-)

Conditions

Conditions	Yield
With ammonia In methanol at 20℃; under 760.051 Torr; for 3.5h; Sonication;	69%

...Expand

: 610-29-7
2-nitroterephthalic acid

: 14667-55-1
2,3,5-trimethylpyrazine

: silver nitrate

: C7H10N2*C8H4NO6(1-)*Ag(1+)

Conditions

Conditions	Yield
Stage #1: 2-nitroterephthalic acid; 2,3,5-trimethylpyrazine; silver nitrate With air In water for 0.5h; Stage #2: In water at 100℃; for 72h; Autoclave;	68.72%

...Expand

: 288-88-0
1,2,4-Triazole

: zinc(II) nitrate hexahydrate

: 610-29-7
2-nitroterephthalic acid

: [Zn2(1,2,4-triazolate)2(2-nitro-1,4-benzenedicarboxylate)]

Conditions

Conditions	Yield
In N,N-dimethyl acetamide; water at 100℃; for 72h; Sealed tube;	65%

...Expand

Nitroterephthalic acid Specification

The Nitroterephthalic acid, with the CAS registry number 610-29-7, is also known as Terephthalic acid, nitro-. It belongs to the product categories of Phthalic Acids, Esters and Derivatives; Derivatives of phthalic acid; C8; Carbonyl Compounds; Carboxylic Acids. Its EINECS number is 210-217-4. This chemical's molecular formula is C₈H₅NO₆ and molecular weight is 211.13. What's more, its systematic name is 2-Nitroterephthalic acid. It should be sealed and stored.

Physical properties of Nitroterephthalic acid are: (1)ACD/LogP: 2.007; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.10; (4)ACD/LogD (pH 7.4): -2.14; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 120.42 Å²; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 46.658 cm³; (15)Molar Volume: 126.334 cm³; (16)Polarizability: 18.497×10^-24cm³; (17)Surface Tension: 88.07 dyne/cm; (18)Density: 1.671 g/cm³; (19)Flash Point: 205.463 °C; (20)Enthalpy of Vaporization: 75.282 kJ/mol; (21)Boiling Point: 454.781 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Uses of Nitroterephthalic acid: it can be used to produce nitro-terephthalic acid diethyl ester by heating. It will need reagent H₂SO₄ with the reaction time of 24 hours. The yield is about 59%.

Nitroterephthalic acid can be used to produce nitro-terephthalic acid diethyl ester by heating

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(ccc1C(=O)O)C(=O)O
(2)Std. InChI: InChI=1S/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)
(3)Std. InChIKey: QUMITRDILMWWBC-UHFFFAOYSA-N

Product Name

Nitroterephthalic acid

Synthetic route

Nitroterephthalic acid Specification

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