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1,2-Benzenedicarboxylicacid, ammonium salt (1:2)

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Name

1,2-Benzenedicarboxylicacid, ammonium salt (1:2)

EINECS 208-341-9
CAS No. 523-24-0 Density 1.34g/cm3 at 20℃
PSA 80.26000 LogP -0.83400
Solubility N/A Melting Point N/A
Formula C8H12N2O4 Boiling Point 378.3 °C at 760 mmHg
Molecular Weight 200.194 Flash Point 196.7 °C
Transport Information N/A Appearance White crystal
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 523-24-0 (DIAMMONIUM PHTHALATE) Hazard Symbols N/A
Synonyms

1,2-Benzenedicarboxylicacid, diammonium salt (9CI);Ammonium phthalate;Diammonium phthalate;

Article Data 2

1,2-Benzenedicarboxylicacid, ammonium salt (1:2) 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

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