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| CAS No.: | 2802-62-2 |
|---|---|
| Name: | 4,6-difluoropyrimidine |
| Molecular Structure: | |
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| Formula: | C4H2F2N2 |
| Molecular Weight: | 116.07 |
| Synonyms: | 4,6-Difluoropyrimidine; |
| Density: | 1.376 g/cm3 |
| Boiling Point: | 124.8 °C at 760 mmHg |
| Flash Point: | 29.3 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 25.78000 |
| LogP: | 0.75480 |
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Specification
The Pyrimidine, 4, 6-difluoro- has CAS registry number 2802-62-2. It belongs to the product categories of Pyrimidine; Pyridines, Pyrimidines, Purines and Pteredines. This chemical's molecular formula is C4H2F2N2 and molecular weight is 116.07. What's more, its IUPAC name is 4, 6-Difluoropyrimidine.
Physical properties about Pyrimidine, 4, 6-difluoro- are: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.19; (4)ACD/LogD (pH 7.4): -0.19; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.72; (8)ACD/KOC (pH 7.4): 18.72; (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: 29.3 °C; (20)Enthalpy of Vaporization: 34.77 kJ/mol; (21)Boiling Point: 124.8 °C at 760 mmHg; (22)Vapour Pressure: 15.2 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ncnc(F)c1
(2) InChI: InChI=1/C4H2F2N2/c5-3-1-4(6)8-2-7-3/h1-2H
(3) InChIKey: MCLDVUCSDZGNRR-UHFFFAOYAR