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Basic Information
CAS No.: 86489-89-6
Name: 3-(Bromomethyl)-1,2,4,5-tetramethoxybenzene
Article Data: 6
Molecular Structure:
Molecular Structure of 86489-89-6 (3-(Bromomethyl)-1,2,4,5-tetramethoxybenzene)
Formula: C11H15BrO4
Molecular Weight: 291.142
Synonyms: 1-bromomethyl-2,3,5,6-tetramethoxybenzene;2,3,5,6-tetramethoxybenzyl bromide;FD7116;
Density: 1.355 g/cm3
Melting Point: 127℃
Boiling Point: 340.937 °C at 760 mmHg
Flash Point: 138.631 °C
PSA: 36.92000
LogP: 2.61590
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Specification

With the CAS registry number 86489-89-6, the systematic name of 3-(Bromomethyl)-1,2,4,5-tetramethoxybenzene is 3-(bromomethyl)-1,2,4,5-tetramethoxybenzene. In addition, its molecular formula is C11H15BrO4 and molecular weight is 290.02.

The other characteristics of 3-(Bromomethyl)-1,2,4,5-tetramethoxybenzene can be summarized as: (1)ACD/LogP: 1.94; (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): 30; (7)ACD/KOC (pH 5.5): 401; (8)ACD/KOC (pH 7.4): 401; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 36.92 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 65.615 cm3; (15)Molar Volume: 214.935 cm3; (16)Polarizability: 26.012×10-24cm3; (17)Surface Tension: 35.031 dyne/cm; (18)Density: 1.355 g/cm3; (19)Flash Point: 138.631 °C; (20)Enthalpy of Vaporization: 56.14 kJ/mol; (21)Boiling Point: 340.937 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: BrCc1c(OC)c(OC)cc(OC)c1OC
(2)InChI: InChI=1/C11H15BrO4/c1-13-8-5-9(14-2)11(16-4)7(6-12)10(8)15-3/h5H,6H2,1-4H3
(3)InChIKey: OIHGNVPUXDUQKY-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C11H15BrO4/c1-13-8-5-9(14-2)11(16-4)7(6-12)10(8)15-3/h5H,6H2,1-4H3
(5)Std. InChIKey: OIHGNVPUXDUQKY-UHFFFAOYSA-N