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Name |
1-Butanone,2-bromo-1-(4-chlorophenyl)- |
EINECS | N/A |
CAS No. | 1011-26-3 | Density | 1.457 g/cm3 |
PSA | 17.07000 | LogP | 3.69620 |
Solubility | N/A | Melting Point |
39.5 °C |
Formula | C10H10BrClO | Boiling Point | 311.7 °C at 760 mmHg |
Molecular Weight | 261.546 | Flash Point | 142.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Butyrophenone,2-bromo-4'-chloro- (7CI,8CI);2-Bromo-1-(4-chlorophenyl)-1-butanone;2-Bromo-4'-chlorobutyrophenone; |
Article Data | 3 |
The 1-Butanone,2-bromo-1-(4-chlorophenyl)-, with the CAS registry number 1011-26-3, is also known as 2-Bromo-1-(4-chlorophenyl)butan-1-one. This chemical's molecular formula is C10H10BrClO and molecular weight is 261.5428. What's more, its systematic name is called 2-Bromo-1-(4-chlorophenyl)butan-1-one.
Physical properties about 1-Butanone,2-bromo-1-(4-chlorophenyl)- are: (1)ACD/LogP: 3.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 3.75; (5)ACD/BCF (pH 5.5): 419.79; (6)ACD/BCF (pH 7.4): 419.79; (7)ACD/KOC (pH 5.5): 2625.24; (8)ACD/KOC (pH 7.4): 2625.24; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 58.13 cm3; (15)Molar Volume: 179.4 cm3; (16)Surface Tension: 42.1 dyne/cm; (17)Density: 1.457 g/cm3; (18)Flash Point: 142.3 °C; (19)Enthalpy of Vaporization: 55.27 kJ/mol; (20)Boiling Point: 311.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000554 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(Cl)cc1)C(Br)CC
(2) InChI: InChI=1/C10H10BrClO/c1-2-9(11)10(13)7-3-5-8(12)6-4-7/h3-6,9H,2H2,1H3
(3) InChIKey: BYOSXLUJIZHWMJ-UHFFFAOYAW