Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone |
EINECS | 630-623-9 |
CAS No. | 461432-22-4 | Density | 1.438 g/cm3 |
PSA | 26.30000 | LogP | 4.73220 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H12BrClO2 | Boiling Point | 439.162 °C at 760 mmHg |
Molecular Weight | 339.616 | Flash Point | 219.397 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone; |
Article Data | 43 |
The systematic name of (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone is (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone. With the CAS registry number 461432-22-4, it is also named as Methanone,(5-bromo-2-chlorophenyl)(4-ethoxyphenyl)-. The product's category is API Intermediates. In addition, its molecular formula is C15H12BrClO2 and molecular weight is 339.61.
The other characteristics of (5-Bromo-2-chlorophenyl)(4-ethoxyphenyl)methanone can be summarized as: (1)ACD/LogP: 4.95; (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): 2844; (6)ACD/BCF (pH 7.4): 2844; (7)ACD/KOC (pH 5.5): 10325; (8)ACD/KOC (pH 7.4): 10325; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 79.942 cm3; (15)Molar Volume: 236.193 cm3; (16)Polarizability: 31.692×10-24cm3; (17)Surface Tension: 44.41 dyne/cm; (18)Density: 1.438 g/cm3; (19)Flash Point: 219.397 °C; (20)Enthalpy of Vaporization: 69.607 kJ/mol; (21)Boiling Point: 439.162 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Clc2c(C(=O)c1ccc(OCC)cc1)cc(Br)cc2
(2)InChI: InChI=1/C15H12BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9H,2H2,1H3
(3)InChIKey: OEURLNJEQCLGPS-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H12BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9H,2H2,1H3
(5)Std. InChIKey: OEURLNJEQCLGPS-UHFFFAOYSA-N