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4-(Bromomethyl)-2,6-di(tert-butyl)pyridine

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Name

4-(Bromomethyl)-2,6-di(tert-butyl)pyridine

EINECS N/A
CAS No. 81142-32-7 Density 1.157 g/cm3
PSA 12.89000 LogP 4.57150
Solubility N/A Melting Point N/A
Formula C14H22BrN Boiling Point 281.8 °C at 760 mmHg
Molecular Weight 284.23 Flash Point 124.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 81142-32-7 (4-(BROMOMETHYL)-2,6-DI-TERT-BUTYLPYRIDINE) Hazard Symbols N/A
Synonyms

4-Bromomethyl-2,6-di-tert-butylpyridine;

Article Data 8

4-(Bromomethyl)-2,6-di(tert-butyl)pyridine Specification

The 4-(Bromomethyl)-2,6-di(tert-butyl)pyridine, with the CAS registry number 81142-32-7, belongs to the following product categories: Pyridine series; Methyl Halides; Pyridines;Methyl Halides. And the molecular formula of the chemical is C14H22BrN.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.33; (4)ACD/LogD (pH 7.4): 4.79; (5)ACD/BCF (pH 5.5): 876.99; (6)ACD/BCF (pH 7.4): 2568.97; (7)ACD/KOC (pH 5.5): 3254.2; (8)ACD/KOC (pH 7.4): 9532.5; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 73.76 cm3; (15)Molar Volume: 245.5 cm3; (16)Polarizability: 29.24×10-24cm3; (17)Surface Tension: 32.5 dyne/cm; (18)Density: 1.157 g/cm3; (19)Flash Point: 124.2 °C; (20)Enthalpy of Vaporization: 49.97 kJ/mol; (21)Boiling Point: 281.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00595 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)c1cc(CBr)cc(n1)C(C)(C)C
(2)InChI: InChI=1/C14H22BrN/c1-13(2,3)11-7-10(9-15)8-12(16-11)14(4,5)6/h7-8H,9H2,1-6H3
(3)InChIKey: KRGQGAXLBUQGQP-UHFFFAOYAC

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