Ethanone,1-[4-(4-bromophenoxy)phenyl]- supplier

Name
1-(4-(4-BROMOPHENOXY)PHENYL)ETHANONE
EINECS
CAS No. 54916-27-7
Article Data9
CAS DataBase
Density 1.401 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₁BrO₂
Boiling Point 377.977 °C at 760 mmHg
Molecular Weight 291.144
Flash Point 182.394 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 26.30000
LogP 4.44400

Ethanone,1-[4-(4-bromophenoxy)phenyl]- Specification

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

Product Name

1-(4-(4-BROMOPHENOXY)PHENYL)ETHANONE

Ethanone,1-[4-(4-bromophenoxy)phenyl]- Specification

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