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CAS No.: | 610-29-7 |
---|---|
Name: | Nitroterephthalic acid |
Article Data: | 28 |
Molecular Structure: | |
Formula: | C8H5NO6 |
Molecular Weight: | 211.131 |
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-; |
EINECS: | 210-217-4 |
Density: | 1.671 g/cm3 |
Melting Point: | 270-272 °C(lit.) |
Boiling Point: | 454.781 °C at 760 mmHg |
Flash Point: | 205.463 °C |
Appearance: | white to off-white powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36-37/39 |
PSA: | 120.42000 |
LogP: | 1.51440 |
Conditions | Yield |
---|---|
With sodium hydroxide In methanol at 60℃; for 5h; | 98% |
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 |
Conditions | Yield |
---|---|
With sodium hydroxide; permanganate(VII) ion |
Conditions | Yield |
---|---|
With potassium hydroxide; potassium hexacyanoferrate(III) |
4-methyl-3-nitrobenzyl chloride
2-nitroterephthalic acid
Conditions | Yield |
---|---|
With permanganate(VII) ion |
4-methyl-2-nitro-benzyl chloride
2-nitroterephthalic acid
Conditions | Yield |
---|---|
With air; nitric acid |
2-nitroterephthalic acid
Conditions | Yield |
---|---|
bei der Oxydation; |
2-nitro-4-trifluoromethyl-benzonitrile
sulfuric acid
2-nitroterephthalic acid
Conditions | Yield |
---|---|
at 190℃; |
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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%.
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