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CAS No.: | 54916-27-7 |
---|---|
Name: | 1-(4-(4-BROMOPHENOXY)PHENYL)ETHANONE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C14H11BrO2 |
Molecular Weight: | 291.144 |
Synonyms: | 4'-(4-Bromophenoxy)acetophenone;1-[4-(4-bromophenoxy)phenyl]ethanone;ethanone, 1-[4-(4-bromophenoxy)phenyl]-;1-(4-(4-Bromophenoxy)phenyl)ethanone;1-acetyl-4-(4-bromophenoxy)benzene; |
Density: | 1.401 g/cm3 |
Boiling Point: | 377.977 °C at 760 mmHg |
Flash Point: | 182.394 °C |
PSA: | 26.30000 |
LogP: | 4.44400 |
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The Ethanone,1-[4-(4-bromophenoxy)phenyl]-, with the CAS registry number 54916-27-7, has the systematic name and IUPAC name of 1-[4-(4-bromophenoxy)phenyl]ethanone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C14H11BrO2.
The characteristics of Ethanone,1-[4-(4-bromophenoxy)phenyl]- are as followings: (1)ACD/LogP: 4.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2653; (6)ACD/BCF (pH 7.4): 2653; (7)ACD/KOC (pH 5.5): 9826; (8)ACD/KOC (pH 7.4): 9826; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 70.415 cm3; (15)Molar Volume: 207.735 cm3; (16)Polarizability: 27.915×10-24cm3; (17)Surface Tension: 43.689 dyne/cm; (18)Density: 1.401 g/cm3; (19)Flash Point: 182.394 °C; (20)Enthalpy of Vaporization: 62.581 kJ/mol; (21)Boiling Point: 377.977 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc2ccc(Oc1ccc(C(=O)C)cc1)cc2
(2)InChI: InChI=1/C14H11BrO2/c1-10(16)11-2-6-13(7-3-11)17-14-8-4-12(15)5-9-14/h2-9H,1H3
(3)InChIKey: YLBRBIMNUGZGTD-UHFFFAOYAD