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190779-61-4

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Basic Information
CAS No.: 190779-61-4
Name: 2,4-BIS-(BROMOMETHYL)-1,3,5-TRIETHYLBENZENE
Article Data: 7
Molecular Structure:
Molecular Structure of 190779-61-4 (2,4-BIS-(BROMOMETHYL)-1,3,5-TRIETHYLBENZENE)
Formula: C14H20Br2
Molecular Weight: 348.121
Synonyms: 2,4-Bis(bromomethyl)-1,3,5-triethylbenzene;
Density: 1.41 g/cm3
Boiling Point: 342.5 °C at 760 mmHg
Flash Point: 187.2 °C
PSA: 0.00000
LogP: 5.16360
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Specification

The Benzene,2,4-bis(bromomethyl)-1,3,5-triethyl-, with the CAS registry number 190779-61-4, has the molecular formula C14H20Br2. Besides, its molecular weight is 348.1166. Its systematic name is called 2,4-bis(bromomethyl)-1,3,5-triethylbenzene.

Physical properties of Benzene,2,4-bis(bromomethyl)-1,3,5-triethyl-: (1)ACD/LogP: 6.59; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.59; (4)ACD/LogD (pH 7.4): 6.59; (5)ACD/BCF (pH 5.5): 60460.83; (6)ACD/BCF (pH 7.4): 60460.83; (7)ACD/KOC (pH 5.5): 92078.97; (8)ACD/KOC (pH 7.4): 92078.97; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.563; (11)Molar Refractivity: 80.19 cm3; (12)Molar Volume: 246.8 cm3; (13)Surface Tension: 38.5 dyne/cm; (14)Density: 1.41 g/cm3; (15)Flash Point: 187.2 °C; (16)Enthalpy of Vaporization: 56.3 kJ/mol; (17)Boiling Point: 342.5 °C at 760 mmHg; (18)Vapour Pressure: 0.000149 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1c(cc(c(c1CC)CBr)CC)CC
(2)InChI: InChI=1/C14H20Br2/c1-4-10-7-11(5-2)14(9-16)12(6-3)13(10)8-15/h7H,4-6,8-9H2,1-3H3
(3)InChIKey: HPICIYNHRQVDCM-UHFFFAOYAY