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| CAS No.: | 79313-01-2 |
|---|---|
| Name: | Pyridine, 2-(bromomethyl)-4,6-dimethyl- (9CI) |
| Molecular Structure: | |
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| Formula: | C8H10BrN |
| Molecular Weight: | 200.078 |
| Synonyms: | 2-(Bromomethyl)-4,6-dimethylpyridine; |
| Density: | 1.383 g/cm3 |
| Boiling Point: | 235.189 °C at 760 mmHg |
| Flash Point: | 96.039 °C |
| PSA: | 12.89000 |
| LogP: | 2.59330 |
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Specification
The Pyridine, 2-(bromomethyl)-4, 6-dimethyl-, with the CAS registry number 79313-01-2, is also known as 2-(Bromomethyl)-4, 6-dimethylpyridine. It belongs to the product categories of Pyridine; Building Blocks. This chemical's molecular formula is C8H10BrN and molecular weight is 200.08. What's more, its systematic name is 2-(Bromomethyl)-4, 6-dimethylpyridine.
Physical properties about Pyridine, 2-(bromomethyl)-4, 6-dimethyl- are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 30; (6)ACD/BCF (pH 7.4): 36; (7)ACD/KOC (pH 5.5): 376; (8)ACD/KOC (pH 7.4): 449; (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: 1.558; (14)Molar Refractivity: 46.642 cm3; (15)Molar Volume: 144.7 cm3; (16)Polarizability: 18.49×10-24 cm3; (17)Surface Tension: 40.779 dyne/cm; (18)Density: 1.383 g/cm3; (19)Flash Point: 96.039 °C; (20)Enthalpy of Vaporization: 45.28 kJ/mol; (21)Boiling Point: 235.189 °C at 760 mmHg; (22)Vapour Pressure: 0.078 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(C)nc(CBr)c1
(2) InChI: InChI=1/C8H10BrN/c1-6-3-7(2)10-8(4-6)5-9/h3-4H,5H2,1-2H3
(3) InChIKey: JTBPXUPRFVPPTM-UHFFFAOYAZ