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70654-69-2

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Basic Information
CAS No.: 70654-69-2
Name: 5-Bromo-2-(methoxymethoxy)-1,3-dimethylbenzene
Article Data: 3
Molecular Structure:
Molecular Structure of 70654-69-2 (5-Bromo-2-(methoxymethoxy)-1,3-dimethylbenzene)
Formula: C10H13BrO2
Molecular Weight: 245.1130
Synonyms: 4-Bromo-2,6-dimethylphenylmethoxymethyl ether;5-Bromo-2-(methoxymethoxy)-1,3-dimethylbenzene;
Density: 1.324 g/cm3
Boiling Point: 286 °C at 760 mmHg
Flash Point: 118.5 °C
PSA: 18.46000
LogP: 3.04860
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Specification

The Benzene, 5-bromo-2-(methoxymethoxy)-1, 3-dimethyl-, with the CAS registry number 70654-69-2, is also known as 4-Bromo-2, 6-dimethylphenylmethoxymethyl ether. This chemical's molecular formula is C10H13BrO2 and molecular weight is 245.1130. What's more, its IUPAC name is 5-Bromo-2-(methoxymethoxy)-1, 3-dimethylbenzene. In addition, this chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties about Benzene, 5-bromo-2-(methoxymethoxy)-1, 3-dimethyl- are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.49; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 263.22; (6)ACD/BCF (pH 7.4): 263.22; (7)ACD/KOC (pH 5.5): 1879.63; (8)ACD/KOC (pH 7.4): 1879.63; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 56.64 cm3; (15)Molar Volume: 185 cm3; (16)Polarizability: 22.45×10-24 cm3; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 1.324 g/cm3; (19)Flash Point: 118.5 °C; (20)Enthalpy of Vaporization: 50.4 kJ/mol; (21)Boiling Point: 286 °C at 760 mmHg; (22)Vapour Pressure: 0.00466 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(c(OCOC)c(c1)C)C
(2) InChI: InChI=1/C10H13BrO2/c1-7-4-9(11)5-8(2)10(7)13-6-12-3/h4-5H,6H2,1-3H3
(3) InChIKey: PEVLGGLVDLXRJB-UHFFFAOYAO