5-Bromo-2-tert-butylpyridine supplier

Name
5-Bromo-2-tert-butylpyridine
EINECS
CAS No. 39919-58-9
Article Data6
CAS DataBase
Density 1.293 g/cm³
Solubility
Melting Point
Formula C₉H₁₂BrN
Boiling Point 230 °C at 760 mmHg
Molecular Weight 214.105
Flash Point 92.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-bromo-2-tert-butylpyridine
PSA 12.89000
LogP 3.14160

5-Bromo-2-tert-butylpyridine Specification

The IUPAC name of this chemical is 5-Bromo-2-tert-butylpyridine. With the CAS registry number 39919-58-9, the formula is C₉H₁₂BrN and the molecular weight is 214.1023. It should be stored in a cool environment.

Physical properties about 5-Bromo-2-tert-butylpyridine are: (1)ACD/LogP: 3.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.44; (4)ACD/LogD (pH 7.4): 3.44; (5)ACD/BCF (pH 5.5): 240.28; (6)ACD/BCF (pH 7.4): 242.05; (7)ACD/KOC (pH 5.5): 1757.16; (8)ACD/KOC (pH 7.4): 1770.07; (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^-24cm³; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.293 g/cm³; (19)Flash Point: 92.9 °C; (20)Enthalpy of Vaporization: 44.77 kJ/mol; (21)Boiling Point: 230 °C at 760 mmHg; (22)Vapour Pressure: 0.102 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc(cc1)C(C)(C)C
(2)InChI: InChI=1/C9H12BrN/c1-9(2,3)8-5-4-7(10)6-11-8/h4-6H,1-3H3
(3)InChIKey: HAJSOFXLKFWERP-UHFFFAOYAX

Product Name

5-Bromo-2-tert-butylpyridine

5-Bromo-2-tert-butylpyridine Specification

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