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CAS No.: | 27041-04-9 |
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Name: | (1-bromo-4-phenyl-butan-2-yl)benzene |
Molecular Structure: | |
Formula: | C16H17Br |
Molecular Weight: | 289.215 |
Synonyms: | (1-Bromo-4-phenyl-butan-2-yl)benzene;1,1'-(4-Bromobutane-1,3-diyl)dibenzene; |
Density: | 1.258 g/cm3 |
Boiling Point: | 353.8 °C at 760 mmHg |
Flash Point: | 164.2 °C |
PSA: | 0.00000 |
LogP: | 4.79790 |
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The Butane,1-bromo-2,4-diphenyl- (8CI), with the CAS registry number 27041-04-9, is also known as (1-Bromo-4-phenyl-butan-2-yl)benzene. This chemical's molecular formula is C16H17Br and molecular weight is 289.2102. What's more, its IUPAC name is (1-Bromo-4-phenylbutan-2-yl)benzene.
Physical properties about Butane,1-bromo-2,4-diphenyl- (8CI) are: (1)ACD/LogP: 5.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.38; (4)ACD/LogD (pH 7.4): 5.38; (5)ACD/BCF (pH 5.5): 7199.58; (6)ACD/BCF (pH 7.4): 7199.58; (7)ACD/KOC (pH 5.5): 20074.81; (8)ACD/KOC (pH 7.4): 20074.81; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 77.28 cm3; (15)Molar Volume: 229.8 cm3; (16)Polarizability: 30.64×10-24 cm3; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.258 g/cm3; (19)Flash Point: 164.2 °C; (20)Enthalpy of Vaporization: 57.51 kJ/mol; (21)Boiling Point: 353.8 °C at 760 mmHg; (22)Vapour Pressure: 7.15E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCC(c1ccccc1)CCc2ccccc2
(2) InChI: InChI=1/C16H17Br/c17-13-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2
(3) InChIKey: SQSJCFQHNSGVBW-UHFFFAOYAT