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Nitroterephthalic acid

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Name

Nitroterephthalic acid

EINECS 210-217-4
CAS No. 610-29-7 Density 1.671 g/cm3
PSA 120.42000 LogP 1.51440
Solubility N/A 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 N/A Appearance white to off-white powder
Safety 26-36-37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 610-29-7 (Nitroterephthalic acid) Hazard Symbols IrritantXi
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-;

Article Data 28

Nitroterephthalic acid Synthetic route

5292-45-5

dimethyl 2-nitroterephthalate

610-29-7

2-nitroterephthalic acid

Conditions
ConditionsYield
With sodium hydroxide In methanol at 60℃; for 5h;98%
100-21-0

terephthalic acid

610-29-7

2-nitroterephthalic acid

Conditions
ConditionsYield
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
ConditionsYield
With sodium hydroxide; permanganate(VII) ion
89-58-7

mononitro-p-xylene

610-29-7

2-nitroterephthalic acid

Conditions
ConditionsYield
With potassium hydroxide; potassium hexacyanoferrate(III)
84540-59-0

4-methyl-3-nitrobenzyl chloride

610-29-7

2-nitroterephthalic acid

Conditions
ConditionsYield
With permanganate(VII) ion
85062-97-1

4-methyl-2-nitro-benzyl chloride

610-29-7

2-nitroterephthalic acid

Conditions
ConditionsYield
With air; nitric acid

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

610-29-7

2-nitroterephthalic acid

Conditions
ConditionsYield
bei der Oxydation;
778-94-9

2-nitro-4-trifluoromethyl-benzonitrile

7664-93-9

sulfuric acid

610-29-7

2-nitroterephthalic acid

Conditions
ConditionsYield
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

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

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