-
Name
3-Pyridazinecarboxylic acid, 6-chloro-,1-methylethyl ester
- EINECS
- CAS No. 321946-09-2
- Density 1.261 g/cm3
- Solubility
- Melting Point
- Formula C8H9ClN2O2
- Boiling Point 322.931 °C at 760 mmHg
- Molecular Weight 200.62226
- Flash Point 149.104 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Isopropyl 6-chloropyridazine-3-carboxylate;
- PSA 52.08000
- LogP 1.69520
3-Pyridazinecarboxylicacid, 6-chloro-, 1-methylethyl ester Specification
The CAS register number of 3-Pyridazinecarboxylicacid, 6-chloro-, 1-methylethyl ester is 321946-09-2. The systematic name about this chemical is isopropyl 6-chloropyridazine-3-carboxylate. The molecular formula about this chemical is C8H9ClN2O2 and the molecular weight is 200.62226. It belongs to the Pyridazine series.
Physical properties about 3-Pyridazinecarboxylicacid, 6-chloro-, 1-methylethyl ester are: (1)ACD/LogP: 0.68; (2)ACD/LogD (pH 5.5): 0.683; (3)ACD/LogD (pH 7.4): 0.683; (4)ACD/BCF (pH 5.5): 1.947; (5)ACD/BCF (pH 7.4): 1.947; (6)ACD/KOC (pH 5.5): 56.074; (7)ACD/KOC (pH 7.4): 56.074; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 52.08Å2; (11)Index of Refraction: 1.519; (12)Molar Refractivity: 48.328 cm3; (13)Molar Volume: 159.115 cm3; (14)Polarizability: 19.159x10-24cm3; (15)Surface Tension: 45.496 dyne/cm; (16)Flash Point: 149.104 °C; (17)Enthalpy of Vaporization: 56.482 kJ/mol; (18)Boiling Point: 322.931 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)OC(=O)c1ccc(nn1)Cl
(2)InChI: InChI=1/C8H9ClN2O2/c1-5(2)13-8(12)6-3-4-7(9)11-10-6/h3-5H,1-2H3
(3)InChIKey: NRINMSGZBCRNMZ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H9ClN2O2/c1-5(2)13-8(12)6-3-4-7(9)11-10-6/h3-5H,1-2H3
(5)Std. InChIKey: NRINMSGZBCRNMZ-UHFFFAOYSA-N
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