-
Name
DIETHYL 1,2,3,6-TETRAHYDROPYRIDAZINE-1,2-DICARBOXYLATE
- EINECS
- CAS No. 35691-30-6
- Article Data12
- CAS DataBase
- Density 1.2 g/cm3
- Solubility
- Melting Point
- Formula C10H16N2O4
- Boiling Point 288.3 °C at 760 mmHg
- Molecular Weight 228.248
- Flash Point 128.2 °C
- Transport Information
- Appearance
- Safety
-
Risk Codes
Xi:Irritant;
-
Molecular Structure
- Hazard Symbols R36/37/38:Irritating to eyes, respiratory system and skin.;
- Synonyms 1,2-Pyridazinedicarboxylicacid, 3,6-dihydro-, diethyl ester (6CI,7CI,9CI);Diethyl 1,2,3,6-tetrahydropyrazine-1,2-carboxylate;NSC 134994;
- PSA 59.08000
- LogP 1.26400
1,2-Pyridazinedicarboxylicacid, 3,6-dihydro-, 1,2-diethyl ester Specification
The 1,2-Pyridazinedicarboxylicacid, 3,6-dihydro-, 1,2-diethyl ester, with the CAS registry number 35691-30-6, is also known as Diethyl 1,2,3,6-tetrahydropyridazine-1,2-dicarboxylate. This chemical's molecular formula is C10H16N2O4 and molecular weight is 228.25. What's more, its systematic name is diethyl 3,6-dihydropyridazine-1,2-dicarboxylate.
Physical properties of 1,2-Pyridazinedicarboxylicacid, 3,6-dihydro-, 1,2-diethyl ester are: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 59.08 Å2; (7)Index of Refraction: 1.504; (8)Molar Refractivity: 56.35 cm3; (9)Molar Volume: 190.1 cm3; (10)Polarizability: 22.33×10-24 cm3; (11)Surface Tension: 44.9 dyne/cm; (12)Density: 1.2 g/cm3; (13)Flash Point: 128.2 °C; (14)Enthalpy of Vaporization: 52.75 kJ/mol; (15)Boiling Point: 288.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00236 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OCC)N1N(C(=O)OCC)C\C=C/C1
(2)InChI: InChI=1/C10H16N2O4/c1-3-15-9(13)11-7-5-6-8-12(11)10(14)16-4-2/h5-6H,3-4,7-8H2,1-2H3
(3)InChIKey: QJTXVDDNYXLLDA-UHFFFAOYAK
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