CAS No.5231-89-0,3,4-DIAMINOCYCLOBUT-3-ENE-1,2-DIONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5231-89-0
Name:	3,4-DIAMINOCYCLOBUT-3-ENE-1,2-DIONE
Article Data:	4

Formula:	C₄H₄N₂O₂
Molecular Weight:	112.09
Synonyms:	3-Cyclobutene-1,2-dione, 3,4-diamino-;
Density:	1.638 g/cm³
Boiling Point:	213.8 °C at 760 mmHg
Flash Point:	83.1 °C
PSA:	86.18000
LogP:	-0.33220

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Specification

The 3,4-Diaminocyclobut-3-ene-1,2-dione, with the CAS registry number 5231-89-0, is also known as 3-Cyclobutene-1,2-dione, 3,4-diamino-. This chemical's molecular formula is C₄H₄N₂O₂ and molecular weight is 112.09. Its systematic name is called 3,4-diaminocyclobut-3-ene-1,2-dione.

Physical properties of 3,4-Diaminocyclobut-3-ene-1,2-dione: (1)ACD/LogP: -2.57; (2)ACD/LogD (pH 5.5): -2.57; (3)ACD/LogD (pH 7.4): -2.57; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2 ; (11)Index of Refraction: 1.665; (12)Molar Refractivity: 25.4 cm³; (13)Molar Volume: 68.3 cm³; (14)Surface Tension: 89.7 dyne/cm; (15)Density: 1.638 g/cm³; (16)Flash Point: 83.1 °C; (17)Enthalpy of Vaporization: 45.01 kJ/mol; (18)Boiling Point: 213.8 °C at 760 mmHg; (19)Vapour Pressure: 0.161 mmHg at 25°C.

Uses of 3,4-Diaminocyclobut-3-ene-1,2-dione: it can be used to produce 3-Amino-4-hydroxy-cyclobut-3-en-1,2-dion. This reaction will need reagent NaOH with reaction time of 3 hours. The yield is about 44%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(\N)=C(\N)C1=O
(2)InChI: InChI=1/C4H4N2O2/c5-1-2(6)4(8)3(1)7/h5-6H2
(3)InChIKey: WUACDRFRFTWMHE-UHFFFAOYAG