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| CAS No.: | 39622-79-2 |
|---|---|
| Name: | 2-AMINOISOPHTHALIC ACID |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C8H7NO4 |
| Molecular Weight: | 181.148 |
| Synonyms: | 1,3-Benzenedicarboxylic acid, 2-amino-;2-Aminoisophthalic acid; |
| Density: | 1.551 g/cm3 |
| Melting Point: | 312-315°C |
| Boiling Point: | 429.7 °C at 760 mmHg |
| Flash Point: | 213.7 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 100.62000 |
| LogP: | 1.24640 |
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Specification
The IUPAC name of this chemical is 2-Aminobenzene-1,3-dicarboxylic acid. With the CAS registry number 39622-79-2, it is also named as 1,3-Benzenedicarboxylic acid,2-amino-. In addition, the molecular formula is C8H7NO4 and the molecular weight is 181.1455. And it should be stored in a cool and dry place.
Physical properties about 2-Aminobenzene-1,3-dicarboxylic acid are: (1)ACD/LogP: 1.32; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 4; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 100.62 Å2; (10)Index of Refraction: 1.684; (11)Molar Refractivity: 44.349 cm3; (12)Molar Volume: 116.773 cm3; (13)Polarizability: 17.581 ×10-24cm3; (14)Surface Tension: 87.714 dyne/cm; (15)Density: 1.551 g/cm3; (16)Flash Point: 213.685 °C; (17)Enthalpy of Vaporization: 72.214 kJ/mol; (18)Boiling Point: 429.717 °C at 760 mmHg.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(c(c1)C(=O)O)N)C(=O)O
(2)InChI: InChI=1/C8H7NO4/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13)
(3)InChIKey: LDOMKUVUXZRECL-UHFFFAOYAQ