Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromo-2,6-di-tert-butylanisole |
EINECS | N/A |
CAS No. | 1516-96-7 | Density | 1.137 |
PSA | 9.23000 | LogP | 5.05270 |
Solubility | N/A | Melting Point |
49-50 ºC |
Formula | C15H23BrO | Boiling Point | 304 ºC |
Molecular Weight | 299.251 | Flash Point | 128 ºC |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Bromo-2,6-di-tert-butylphenyl methyl ether;5-Bromo-1,3-di-tert-butyl-2-methoxybenzene;benzene, 5-bromo-1,3-bis(1,1-dimethylethyl)-2-methoxy-; |
Article Data | 23 |
The 4-Bromo-2,6-di-tert-butylanisole, with the cas registry number 1516-96-7, has the systematic name of 4-bromo-2,6-di-tert-butylphenyl methyl ether. And the molecular formula of the chemical is C15H23BrO.
The characteristics of this chemical are as followings: (1)ACD/LogP: 8.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 55199; (6)ACD/BCF (pH 7.4): 55199; (7)ACD/KOC (pH 5.5): 86270; (8)ACD/KOC (pH 7.4): 86270; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 77.396 cm3; (15)Molar Volume: 262.996 cm3; (16)Polarizability: 30.682×10-24cm3; (17)Surface Tension: 29.04 dyne/cm; (18)Density: 1.138 g/cm3; (19)Flash Point: 128.034 °C; (20)Enthalpy of Vaporization: 52.293 kJ/mol; (21)Boiling Point: 304.329 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)c1cc(Br)cc(c1OC)C(C)(C)C
(2)InChI: InChI=1/C15H23BrO/c1-14(2,3)11-8-10(16)9-12(13(11)17-7)15(4,5)6/h8-9H,1-7H3
(3)InChIKey: KKHJQLVAMOKQHO-UHFFFAOYAK