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

Name
DIAMMONIUM PHTHALATE
EINECS 208-341-9
CAS No. 523-24-0
Article Data2
CAS DataBase
Density 1.34g/cm3 at 20℃
Solubility
Melting Point
Formula C₈H₁₂N₂O₄
Boiling Point 378.3 °C at 760 mmHg
Molecular Weight 200.194
Flash Point 196.7 °C
Transport Information
Appearance White crystal
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2-Benzenedicarboxylicacid, diammonium salt (9CI);Ammonium phthalate;Diammonium phthalate;
PSA 80.26000
LogP -0.83400

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

Product Name

DIAMMONIUM PHTHALATE

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

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