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CAS No.: | 845827-13-6 |
---|---|
Name: | PYRIDINE, 5-BROMO-2-(DIFLUOROMETHYL)- |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C6H4BrF2N |
Molecular Weight: | 208.005 |
Synonyms: | 5-Bromo-2-(difluoromethyl)pyridine; |
EINECS: | 200-258-5 |
Density: | 1.64 g/cm3 |
Melting Point: | 35-40℃ |
Boiling Point: | 206.644 °C at 760 mmHg |
Flash Point: | 78.776 °C |
Hazard Symbols: | T |
Risk Codes: | 25-36/37/38 |
Safety: | 26-45 |
PSA: | 12.89000 |
LogP: | 2.78170 |
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The Pyridine, 5-bromo-2-(difluoromethyl)- has CAS registry number 845827-13-6. This chemical's molecular formula is C6H4BrF2N and molecular weight is 208.01. What's more, its systematic name 5-Bromo-2-(difluoromethyl)pyridine.
Physical properties about Pyridine, 5-bromo-2-(difluoromethyl)- are: (1)D/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.352; (4)ACD/LogD (pH 7.4): 2.352; (5)ACD/BCF (pH 5.5): 36.09; (6)ACD/BCF (pH 7.4): 36.09; (7)ACD/KOC (pH 5.5): 453.311; (8)ACD/KOC (pH 7.4): 453.311; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 37.281 cm3; (15)Molar Volume: 126.796 cm3; (16)Polarizability: 14.779×10-24 cm3; (17)Surface Tension: 34.101 dyne/cm; (18)Density: 1.64 g/cm3; (19)Flash Point: 78.776 °C; (20)Enthalpy of Vaporization: 42.481 kJ/mol; (21)Boiling Point: 206.644 °C at 760 mmHg; (22)Vapour Pressure: 0.337 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ncc1Br)C(F)F
(2) InChI: InChI=1/C6H4BrF2N/c7-4-1-2-5(6(8)9)10-3-4/h1-3,6H
(3) InChIKey: QXLZRIGSWWQOLG-UHFFFAOYAU