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2-Aminoterephthalic acid

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Name

2-Aminoterephthalic acid

EINECS N/A
CAS No. 10312-55-7 Density 1.551 g/cm3
PSA 100.62000 LogP 1.24640
Solubility Slightly soluble in water. Melting Point 324 °C (dec.)(lit.)
Formula C8H7NO4 Boiling Point 450.7 °C at 760 mmHg
Molecular Weight 181.148 Flash Point 226.4 °C
Transport Information N/A Appearance slight yellow crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 10312-55-7 (2-Aminoterephthalic acid) Hazard Symbols IrritantXi
Synonyms

Aminoterephthalic acid;

Article Data 34

2-Aminoterephthalic acid Synthetic route

610-29-7

2-nitroterephthalic acid

10312-55-7

3-aminoterephthalic acid

Conditions
ConditionsYield
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%
5372-81-6

dimethyl aminoterephthalate

10312-55-7

3-aminoterephthalic acid

Conditions
ConditionsYield
With water; sodium hydroxide In methanol at 60℃; for 3h;94%
With sodium hydroxide for 2h; Heating;
With potassium hydroxide In tetrahydrofuran; water at 20℃;
89-78-1

menthol

610-29-7

2-nitroterephthalic acid

10312-55-7

3-aminoterephthalic acid

860754-74-1

monoamide of trimellitic acid

10312-55-7

3-aminoterephthalic acid

Conditions
ConditionsYield
With potassium hydroxide; bromine
99185-32-7

2-acetamidoterephthalic acid

10312-55-7

3-aminoterephthalic acid

Conditions
ConditionsYield
With ethanol; sulfuric acid
7647-01-0

hydrogenchloride

610-29-7

2-nitroterephthalic acid

tin

tin

10312-55-7

3-aminoterephthalic acid

64-17-5

ethanol

7664-93-9

sulfuric acid

99185-32-7

2-acetamidoterephthalic acid

10312-55-7

3-aminoterephthalic acid

860754-74-1

monoamide of trimellitic acid

7726-95-6

bromine

KOH-solution

KOH-solution

10312-55-7

3-aminoterephthalic acid

7647-01-0

hydrogenchloride

2,2′,5,5′-azobenzenetetracarboxylic acid

tin

tin

10312-55-7

3-aminoterephthalic acid

95-63-6

1,2,4-Trimethylbenzene

10312-55-7

3-aminoterephthalic acid

Conditions
ConditionsYield
Multi-step reaction with 6 steps
2: sulfuric acid
3: aqueous-methanolic KOH-solution
5: 100 °C / im Rohr
6: bromine; KOH-solution
View Scheme

2-Aminoterephthalic acid Specification

The 2-Aminoterephthalic acid, with the CAS registry number of 10312-55-7, is also known as Aminoterephthalicacid. It belongs to the product categories of Phthalic Acids, Esters and Derivatives; Derivatives of phthalic acid; Aromatic Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. This chemical's molecular formula is C8H7NO4 and molecular weight is 181.15. What's more, its IUPAC name is 2-Aminoterephthalic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the 2-Aminoterephthalic acid are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.01; (4)ACD/LogD (pH 7.4): -2.65; (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: 4; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 44.34 cm3; (15)Molar Volume: 116.7 cm3; (16)Surface Tension: 87.7 dyne/cm; (17)Density: 1.551 g/cm3; (18)Flash Point: 226.4 °C; (19)Enthalpy of Vaporization: 74.78 kJ/mol; (20)Boiling Point: 450.7 °C at 760 mmHg; (21)Vapour Pressure: 6.54E-09 mmHg at 25 °C.

Preparation: this chemical is prepared by Nitro-terephthalic acid. The reaction needs reagents 37 % HCl, Hydrogen and solvents Tetrahydrofuran, Ethanol. It also needs catalyst Pd/C. The reaction time is 4 hours. The yield is about 73 %.


Uses: it is used to produce other chemicals. For example, it is used to produce Amino-terephthalic acid-4-methyl ester. This reaction needs reagent 98 % H2SO4. Other condition of this reaction is reaction time of 8 minutes at 60 °C. The yield is about 57 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. Besides, during using it, wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1) SMILES:O=C(O)c1ccc(cc1N)C(=O)O
(2) InChI:InChI=1/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
(3) InChIKey:GPNNOCMCNFXRAO-UHFFFAOYAI

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