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CAS No.: | 57018-12-9 |
---|---|
Name: | 2,6-dibromo-4-ethylphenol |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H8Br2O |
Molecular Weight: | 279.959 |
Synonyms: | 2,6-Dibromo-4-ethylphenol; |
EINECS: | 260-516-9 |
Density: | 1.829g/cm3 |
Boiling Point: | 265.2 °C at 760 mmHg |
Flash Point: | 114.2 °C |
PSA: | 20.23000 |
LogP: | 3.47960 |
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The Phenol,2,6-dibromo-4-ethyl-, with CAS registry number 57018-12-9, has the systematic name of 2,6-dibromo-4-ethylphenol. Its molecular weight is 279.95652. And the chemical formula of this chemical is C8H8Br2O. What's more, its EINECS is 260-516-9.
Physical properties of Phenol,2,6-dibromo-4-ethyl-: (1)ACD/LogP: 4.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.4; (4)ACD/LogD (pH 7.4): 4.02; (5)ACD/BCF (pH 5.5): 1285.26; (6)ACD/BCF (pH 7.4): 542.27; (7)ACD/KOC (pH 5.5): 5818.85; (8)ACD/KOC (pH 7.4): 2455.05; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 53.06 cm3; (15)Molar Volume: 153 cm3; (16)Polarizability: 21.03×10-24cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.829 g/cm3; (19)Flash Point: 114.2 °C; (20)Enthalpy of Vaporization: 52.35 kJ/mol; (21)Boiling Point: 265.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00565 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(cc(Br)c1O)CC
(2)InChI: InChI=1/C8H8Br2O/c1-2-5-3-6(9)8(11)7(10)4-5/h3-4,11H,2H2,1H3
(3)InChIKey: XSNHMPFGJLEOTP-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H8Br2O/c1-2-5-3-6(9)8(11)7(10)4-5/h3-4,11H,2H2,1H3
(5)Std. InChIKey: XSNHMPFGJLEOTP-UHFFFAOYSA-N