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Pyridine,4-bromo-2-(chloromethyl)-

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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 Molecular Structure of 1001463-32-6 (4-bromo-2-(chloromethyl)pyridine) Hazard Symbols N/A
Synonyms

4-Bromo-2-(chloromethyl)pyridine;

 

Pyridine,4-bromo-2-(chloromethyl)- Specification

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

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