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3-Bromo-2,4,6-trimethylpyridine

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Name

3-Bromo-2,4,6-trimethylpyridine

EINECS N/A
CAS No. 23079-73-4 Density 1.354 g/cm3
PSA 12.89000 LogP 2.76930
Solubility N/A Melting Point N/A
Formula C8H10BrN Boiling Point 222.1 °C at 760 mmHg
Molecular Weight 200.078 Flash Point 88.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 23079-73-4 (3-Bromo-2,4,6-trimethylpyridine) Hazard Symbols N/A
Synonyms

3-Bromo-2,4,6-collidine;3-Bromo-2,4,6-trimethylpyridine;

Article Data 6

3-Bromo-2,4,6-trimethylpyridine Specification

The systematic name of 3-Bromo-2,4,6-trimethylpyridine is Pyridine, 3-bromo-2,4,6-trimethyl-. With the CAS registry number 23079-73-4, it is also named as 3-Bromo-2,4,6-collidine. In addition, its molecular formula is C8H10BrN and its molecular weight is 200.08. 

The other characteristics of 3-Bromo-2,4,6-trimethylpyridine can be summarized as: (1)ACD/LogP: 3.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.02; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 109.46; (6)ACD/BCF (pH 7.4): 140.67; (7)ACD/KOC (pH 5.5): 932.99; (8)ACD/KOC (pH 7.4): 1199.07; (9)H bond acceptors: 1; (10)H bond donors: 0; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 46.5 cm3; (15)Molar Volume: 147.6 cm3; (16)Polarizability: 18.43×10-24cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.354 g/cm3; (19)Flash Point: 88.1 °C; (20)Enthalpy of Vaporization: 43.99 kJ/mol; (21)Boiling Point: 222.1 °C at 760 mmHg; (22)Vapour Pressure: 0.154 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1cc(nc(c1Br)C)C
(2)InChI:InChI=1/C8H10BrN/c1-5-4-6(2)10-7(3)8(5)9/h4H,1-3H3
(3)InChIKey:HDIJRNSEQXUVPU-UHFFFAOYAP
(4)Std. InChI:InChI=1S/C8H10BrN/c1-5-4-6(2)10-7(3)8(5)9/h4H,1-3H3
(5)Std. InChIKey:HDIJRNSEQXUVPU-UHFFFAOYSA-N

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