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

Name
3-Bromo-2,4,6-trimethylpyridine
EINECS
CAS No. 23079-73-4
Article Data6
CAS DataBase
Density 1.354 g/cm³
Solubility
Melting Point
Formula C₈H₁₀BrN
Boiling Point 222.1 °C at 760 mmHg
Molecular Weight 200.078
Flash Point 88.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-2,4,6-collidine;3-Bromo-2,4,6-trimethylpyridine;
PSA 12.89000
LogP 2.76930

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

Product Name

3-Bromo-2,4,6-trimethylpyridine

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

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