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Name |
Pyridine,4-bromo-2-(chloromethyl)- |
EINECS | N/A |
CAS No. | 1001463-32-6 | Density | 1.632 g/cm3 |
PSA | 12.89000 | LogP | 2.58290 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5BrClN | Boiling Point | 258.615 °C at 760 mmHg |
Molecular Weight | 206.47 | Flash Point | 110.207 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Bromo-2-(chloromethyl)pyridine; |
The Pyridine, 4-bromo-2-(chloromethyl)-, with the CAS registry number 1001463-32-6, is also known as 4-Bromo-2-(chloromethyl)pyridine. This chemical's molecular formula is C6H5BrClN and molecular weight is 206.47. What's more, its systematic name is Pyridine, 4-bromo-2-(chloromethyl)-.
Physical properties about Pyridine, 4-bromo-2-(chloromethyl)- are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.094; (4)ACD/LogD (pH 7.4): 2.094; (5)ACD/BCF (pH 5.5): 22.964; (6)ACD/BCF (pH 7.4): 22.973; (7)ACD/KOC (pH 5.5): 327.942; (8)ACD/KOC (pH 7.4): 328.082; (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: 1.575; (14)Molar Refractivity: 41.8 cm3; (15)Molar Volume: 126.537 cm3; (16)Polarizability: 16.571×10-24 cm3; (17)Surface Tension: 44.691 dyne/cm; (18)Density: 1.632 g/cm3; (19)Flash Point: 110.207 °C; (20)Enthalpy of Vaporization: 47.619 kJ/mol; (21)Boiling Point: 258.615 °C at 760 mmHg; (22)Vapour Pressure: 0.022 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cnc(cc1Br)CCl
(2) InChI: InChI=1/C6H5BrClN/c7-5-1-2-9-6(3-5)4-8/h1-3H,4H2
(3) InChIKey: JJTOQZAHQZOCKN-UHFFFAOYAE