CAS No.33097-39-1,3,6-difluoropyridazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	33097-39-1
Name:	3,6-difluoropyridazine
Article Data:	6

Formula:	C₄H₂F₂N₂
Molecular Weight:	116.07
Synonyms:	3,6-Difluoropyridazine;
Density:	1.376 g/cm³
Boiling Point:	204.3 °C at 760 mmHg
Flash Point:	77.4 °C
PSA:	25.78000
LogP:	0.75480

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Specification

The IUPAC name of this chemical is 3,6-difluoropyridazine. With the CAS registry number 33097-39-1, it is also named as pyridazine, 3,6-difluoro-. In addition, the formula is and the C₄H₂F₂N₂molecular weight is 116.07.

The other characteristics of 3,6-Difluoropyridazine can be summarized as: (1)ACD/LogP: -0.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.6; (4)ACD/LogD (pH 7.4): -0.6; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.25; (8)ACD/KOC (pH 7.4): 11.25; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 22.42 cm³; (15)Molar Volume: 84.3 cm³; (16)Polarizability: 8.88×10^-24 cm³; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.376 g/cm³; (19)Flash Point: 77.4 °C; (20)Enthalpy of Vaporization: 42.26 kJ/mol; (21)Boiling Point: 204.3 °C at 760 mmHg; (22)Vapour Pressure: 0.378 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Fc1nnc(F)cc1
2. InChI:InChI=1/C4H2F2N2/c5-3-1-2-4(6)8-7-3/h1-2H
3. InChIKey:RVECZHFENFMRHJ-UHFFFAOYAX
4. Std. InChI:InChI=1S/C4H2F2N2/c5-3-1-2-4(6)8-7-3/h1-2H
5. Std. InChIKey:RVECZHFENFMRHJ-UHFFFAOYSA-N