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181058-08-2

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Basic Information
CAS No.: 181058-08-2
Name: 1,3,5-TRIS(BROMOMETHYL)-2,4,6-TRIETHYLBENZENE
Article Data: 38
Molecular Structure:
Molecular Structure of 181058-08-2 (1,3,5-TRIS(BROMOMETHYL)-2,4,6-TRIETHYLBENZENE)
Formula: C15H21Br3
Molecular Weight: 441.044
Synonyms: 1,3,5-TRIS(BROMOMETHYL)-2,4,6-TRIETHYLBENZENE;1,3,5-tri(broMoMethyl)-2,4,6-triethylbenzene;2,4,6-Triethyl-1,3,5-tris(bromomethyl)benzene;1,3,5-Tris(broMoMethyl)-2,4,6-triethylbenzene 98%
Density: 1.595 g/cm3
Melting Point: 172-177 °C
Boiling Point: 392.3 °C at 760 mmHg
Flash Point: 185.3 °C
Hazard Symbols: Xi
Risk Codes: 36/38
Safety: 26
PSA: 0.00000
LogP: 6.05850
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Specification

The Benzene,1,3,5-tris(bromomethyl)-2,4,6-triethyl- has CAS registry number 181058-08-2. It belongs to the product categories of Pharmacetical; Alkyl; Halogenated Hydrocarbons; Organic Building Blocks. This chemical's molecular formula is C15H21Br3 and molecular weight is 441.04. What's more, its IUPAC name is 1,3,5-tris(bromomethyl)-2,4,6-triethylbenzene.

Physical properties of Benzene,1,3,5-tris(bromomethyl)-2,4,6-triethyl- are: (1)ACD/LogP: 7.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.29; (4)ACD/LogD (pH 7.4): 7.29; (5)ACD/BCF (pH 5.5): 206080.47; (6)ACD/BCF (pH 7.4): 206080.47; (7)ACD/KOC (pH 5.5): 221494.59; (8)ACD/KOC (pH 7.4): 221494.59; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 92.84 cm3; (15)Molar Volume: 276.3 cm3; (16)Polarizability: 36.8×10-24cm3; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.595 g/cm3; (19)Flash Point: 185.3 °C; (20)Enthalpy of Vaporization: 61.7 kJ/mol; (21)Boiling Point: 392.3 °C at 760 mmHg; (22)Vapour Pressure: 5.21E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1c(c(c(c(c1CC)CBr)CC)CBr)CC
(2)Std. InChI: InChI=1S/C15H21Br3/c1-4-10-13(7-16)11(5-2)15(9-18)12(6-3)14(10)8-17/h4-9H2,1-3H3
(3)Std. InChIKey: UMKPSDHZXLYFJF-UHFFFAOYSA-N