3,6-Difluoropyridazine supplier

Name
3,6-difluoropyridazine
EINECS
CAS No. 33097-39-1
Article Data6
CAS DataBase
Density 1.376 g/cm³
Solubility
Melting Point
Formula C₄H₂F₂N₂
Boiling Point 204.3 °C at 760 mmHg
Molecular Weight 116.07
Flash Point 77.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,6-Difluoropyridazine;
PSA 25.78000
LogP 0.75480

3,6-Difluoropyridazine 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

Product Name

3,6-difluoropyridazine

3,6-Difluoropyridazine Specification

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