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65202-50-8

Basic Information
CAS No.: 65202-50-8
Name: 3-Pyridazinecarboxylicacid, 6-chloro-, methyl ester
Article Data: 23
Cas Database
Molecular Structure:
Molecular Structure of 65202-50-8 (3-Pyridazinecarboxylicacid, 6-chloro-, methyl ester)
Formula: C6H5ClN2O2
Molecular Weight: 172.571
Synonyms: 6-Chloropyridazine-3-carboxylicacid methyl ester;Methyl 6-chloropyridazine-3-carboxylate;
EINECS: N/A
Density: 1.373 g/cm3
Melting Point: 145 °C(Solv: ligroine (8032-32-4))
Boiling Point: 310.939 °C at 760 mmHg
Flash Point: 141.851 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 52.08000
LogP: 0.91660
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  • Methyl 6-chloropyridazine-3-carboxylate

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    65202-50-8

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    65202-50-8

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  • methyl 6-chloropyridazine-3-carboxylate

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    65202-50-8

    methyl 6-chloropyridazine-3-carboxylate

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Specification

The IUPAC name of this chemical is methyl 6-chloropyridazine-3-carboxylate. With the CAS registry number 65202-50-8, it is also named as 3-Pyridazinecarboxylic acid, 6-chloro-, methyl ester. The product's categories are Esters; Pyrazines, Pyrimidines & Pyridazines; Building Blocks; Pyridazine. In addition, the formula is C6H5ClN2O2 and the molecular weight is 172.57.

The other characteristics of Methyl 6-chloropyridazine-3-carboxylate can be summarized as: (1)ACD/LogP: -0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 40; (8)ACD/KOC (pH 7.4): 40; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 39.104 cm3; (15)Molar Volume: 125.724 cm3; (16)Polarizability: 15.502×10-24 cm3; (17)Surface Tension: 51.188 dyne/cm; (18)Density: 1.373 g/cm3; (19)Flash Point: 141.851 °C; (20)Enthalpy of Vaporization: 55.181 kJ/mol; (21)Boiling Point: 310.939 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:Clc1ccc(nn1)C(=O)OC
2. InChI:InChI=1/C6H5ClN2O2/c1-11-6(10)4-2-3-5(7)9-8-4/h2-3H,1H3 
3. InChIKey:FPKXYXKLOWAIOX-UHFFFAOYAN
4. Std. InChI:InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-3-5(7)9-8-4/h2-3H,1H3 
5. Std. InChIKey:FPKXYXKLOWAIOX-UHFFFAOYSA-N