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| CAS No.: | 523-24-0 |
|---|---|
| Name: | DIAMMONIUM PHTHALATE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H12N2O4 |
| Molecular Weight: | 200.194 |
| Synonyms: | 1,2-Benzenedicarboxylicacid, diammonium salt (9CI);Ammonium phthalate;Diammonium phthalate; |
| EINECS: | 208-341-9 |
| Density: | 1.34g/cm3 at 20℃ |
| Boiling Point: | 378.3 °C at 760 mmHg |
| Flash Point: | 196.7 °C |
| Appearance: | White crystal |
| PSA: | 80.26000 |
| LogP: | -0.83400 |
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- Total:37 Page 1 of 1 1
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Specification
The 1,2-Benzenedicarboxylicacid, ammonium salt (1:2), with CAS registry number 523-24-0, has the systematic name of benzene-1,2-dicarboxylic acid diammoniate. Besides this, it is also called Diammonium phthalate. And the chemical formula of this chemical is C8H12N2O4. The main use of this chemical is for organic synthesis. What's more, its EINECS is 208-341-9.
Physical properties of 1,2-Benzenedicarboxylicacid, ammonium salt (1:2): (1)ACD/LogP: 0.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.98; (4)ACD/LogD (pH 7.4): -3.3; (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: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.6 Å2; (13)Flash Point: 196.7 °C; (14)Enthalpy of Vaporization: 66.05 kJ/mol; (15)Boiling Point: 378.3 °C at 760 mmHg; (16)Vapour Pressure: 2.14E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1ccccc1C(=O)O.N.N
(2)InChI: InChI=1/C8H6O4.2H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);2*1H3
(3)InChIKey: CHCFOMQHQIQBLZ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H6O4.2H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);2*1H3
(5)Std. InChIKey: CHCFOMQHQIQBLZ-UHFFFAOYSA-N