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10312-55-7

Basic Information
CAS No.: 10312-55-7
Name: 2-Aminoterephthalic acid
Molecular Structure:
Molecular Structure of 10312-55-7 (2-Aminoterephthalic acid)
Formula: C8H7NO4
Molecular Weight: 181.15
Synonyms: Aminoterephthalic acid;
EINECS:
Density: 1.551 g/cm3
Melting Point: 324 °C (dec.)(lit.)
Boiling Point: 450.7 °C at 760 mmHg
Flash Point: 226.4 °C
Solubility: Slightly soluble in water.
Appearance: slight yellow crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
Transport Information:
PSA: 100.62000
LogP: 1.24640
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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