CAS No.195044-14-5,2-BROMO-6-TERT-BUTYLPYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	195044-14-5
Name:	2-BROMO-6-TERT-BUTYLPYRIDINE
Article Data:	14

Formula:	C₉H₁₂BrN
Molecular Weight:	214.105
Synonyms:	2-Bromo-6-tert-butylpyridine;
Density:	1.293 g/cm³
Boiling Point:	223.2 °C at 760 mmHg
Flash Point:	88.8 °C
PSA:	12.89000
LogP:	3.14160

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Specification

The Pyridine, 2-bromo-6-(1, 1-dimethylethyl)- has CAS registry number 195044-14-5. This chemical's molecular formula is C₉H₁₂BrN and molecular weight is 214.10. What's more, its IUPAC name is 2-Bromo-6-tert-butylpyridine.

Physical properties about Pyridine, 2-bromo-6-(1, 1-dimethylethyl)- are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.22; (4)ACD/LogD (pH 7.4): 3.22; (5)ACD/BCF (pH 5.5): 164.71; (6)ACD/BCF (pH 7.4): 164.72; (7)ACD/KOC (pH 5.5): 1343.77; (8)ACD/KOC (pH 7.4): 1343.85; (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: 1.521; (14)Molar Refractivity: 50.42 cm³; (15)Molar Volume: 165.5 cm³; (16)Polarizability: 19.98×10^-24 cm³; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.293 g/cm³; (19)Flash Point: 88.8 °C; (20)Enthalpy of Vaporization: 44.09 kJ/mol; (21)Boiling Point: 223.2 °C at 760 mmHg; (22)Vapour Pressure: 0.146 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)c1cccc(Br)n1
(2) InChI: InChI=1/C9H12BrN/c1-9(2,3)7-5-4-6-8(10)11-7/h4-6H,1-3H3
(3) InChIKey: QMVOIXCANJLTGO-UHFFFAOYAR