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CAS No.: | 949160-14-9 |
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Name: | 2-Bromo-6-tert-butyloxy-pyridine |
Molecular Structure: | |
Formula: | C9H12BrNO |
Molecular Weight: | 230.104 |
Synonyms: | 6-(tert-Butoxy)-2-bromopyridine;2-Bromo-6-(tert-butoxy)pyridine; |
Density: | 1.335 g/cm3 |
Boiling Point: | 247.706 °C at 760 mmHg |
Flash Point: | 103.609 °C |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 22.12000 |
LogP: | 3.02140 |
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The IUPAC name of this chemical is 2-Bromo-6-tert-butyloxy-pyridine. The CAS registry number is 949160-14-9. In addition, the molecular formula is C9H12BrNO and the molecular weight is 230.10. It should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 3.71; (2)ACD/LogD (pH 5.5): 3.708; (3)ACD/LogD (pH 7.4): 3.708; (4)ACD/BCF (pH 5.5): 387.035; (5)ACD/BCF (pH 7.4): 387.035; (6)ACD/KOC (pH 5.5): 2476.941; (7)ACD/KOC (pH 7.4): 2476.945; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 22.12 Å2; (11)Index of Refraction: 1.522; (12)Molar Refractivity: 52.577 cm3; (13)Molar Volume: 172.413 cm3; (14)Polarizability: 20.843 ×10-24cm3; (15)Surface Tension: 36.243 dyne/cm; (16)Density: 1.335 g/cm3; (17)Flash Point: 103.609 °C; (18)Enthalpy of Vaporization: 46.525 kJ/mol; (19)Boiling Point: 247.706 °C at 760 mmHg; (20)Vapour Pressure: 0.04 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)Oc1cccc(n1)Br
(2)InChI: InChI=1/C9H12BrNO/c1-9(2,3)12-8-6-4-5-7(10)11-8/h4-6H,1-3H3
(3)InChIKey: ZQRVWDAISRXUPX-UHFFFAOYAD