Basic information
- Name:
4-Bromo-3-methylpyridine hydrochloride
- CAS No.:
40899-37-4
- Molecular Structure:
- Formula:
- C6H6BrN.HCl
- Molecular Weight:
- 208.48
- Synonyms:
- pyridine, 4-bromo-3-methyl-, hydrochloride (1:1);4-Bromo-3-picoline HCl;
- Boiling Point:
- 250 °C at 760 mmHg
- Flash Point:
- 105 °C
- Hazard Symbols:
Xi
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Specification
The cas register number of 4-Bromo-3-methylpyridine hydrochloride is 40899-37-4. It also can be called as 4-bromo-3-methyl-pyridine and the IUPAC Name about this chemical is 4-bromo-3-methylpyridine hydrochloride.
Physical properties about 4-Bromo-3-methylpyridine hydrochloride are: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 1.99; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 18.97; (5)ACD/BCF (pH 7.4): 19.49; (6)ACD/KOC (pH 5.5): 283.86; (7)ACD/KOC (pH 7.4): 291.67; (8)#H bond acceptors: 1; (9)Polar Surface Area: 12.89Å2; (10)Enthalpy of Vaporization: 49.71 kJ/mol; (11)Vapour Pressure: 0.0176 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CN=C1)Br.Cl
(2)InChI: InChI=1S/C6H6BrN.ClH/c1-5-4-8-3-2-6(5)7;/h2-4H,1H3;1H
(3)InChIKey: KQFBHVJLZVHFFX-UHFFFAOYSA-N
