3,6-Dihydroxy-4,5-dimethylpyridazine supplier

Name
3,6-Dihydroxy-4,5-dimethylpyridazine
EINECS 1312995-182-4
CAS No. 5754-17-6
Article Data6
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point 347-351 °C
Formula C₆H₈N₂O₂
Boiling Point 422.4 °C at 760 mmHg
Molecular Weight 140.14
Flash Point 209.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols T
Synonyms 3,6-Dihydroxy-4,5-dimethylpyridazine;NSC 50756;4,5-Dimethylpyridazine-3,6-diol;
PSA 66.24000
LogP 0.50460

3,6-Dihydroxy-4,5-dimethylpyridazine Specification

The IUPAC name of 3,6-Pyridazinedione,1,2-dihydro-4,5-dimethyl- is 4,5-dimethyl-1,2-dihydropyridazine-3,6-dione. With the CAS registry number 5754-17-6, it is also named as 3,6-Dihydroxy-4,5-dimethylpyridazine. The product's category is Pyridazine Series. In addition, its molecular formula is C₆H₈N₂O₂ and its molecular weight is 140.14.

The other characteristics of 3,6-Pyridazinedione,1,2-dihydro-4,5-dimethyl- can be summarized as: (1)ACD/LogP: 0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 40.62 Å²; (11)Index of Refraction: 1.481; (12)Molar Refractivity: 34.41 cm³; (13)Molar Volume: 120.7 cm³; (14)Polarizability: 13.64×10^-24cm³; (15)Surface Tension: 32.1 dyne/cm; (16)Density: 1.16 g/cm³; (17)Flash Point: 209.3 °C; (18)Enthalpy of Vaporization: 70.28 kJ/mol; (19)Boiling Point: 422.4 °C at 760 mmHg; (20)Vapour Pressure: 9.83E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C1/C(=C(\C(=O)NN1)C)C
(2)InChI: InChI=1/C6H8N2O2/c1-3-4(2)6(10)8-7-5(3)9/h1-2H3,(H,7,9)(H,8,10)
(3)InChIKey: QLFHLLQTPRTMLL-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H8N2O2/c1-3-4(2)6(10)8-7-5(3)9/h1-2H3,(H,7,9)(H,8,10)
(5)Std. InChIKey: QLFHLLQTPRTMLL-UHFFFAOYSA-N

Product Name

3,6-Dihydroxy-4,5-dimethylpyridazine

3,6-Dihydroxy-4,5-dimethylpyridazine Specification

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