1-Bromo-4-phenyl-2-Butanone supplier

Name
1-Bromo-4-phenyl-2-Butanone
EINECS
CAS No. 31984-10-8
Article Data31
CAS DataBase
Density 1.372 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₁BrO
Boiling Point 290.056 °C at 760 mmHg
Molecular Weight 227.101
Flash Point 70.592 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Butanone, 1-bromo-4-phenyl-;
PSA 17.07000
LogP 2.58320

1-Bromo-4-phenyl-2-Butanone Specification

The 1-Bromo-4-phenyl-2-Butanone, with the CAS registry number 31984-10-8, is also known as 2-Butanone, 1-bromo-4-phenyl-. This chemical's molecular formula is C₁₀H₁₁BrO and molecular weight is 227.10. What's more, its IUPAC name is 1-bromo-4-phenylbutan-2-one.

Physical properties of 1-Bromo-4-phenyl-2-Butanone are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 42; (6)ACD/BCF (pH 7.4): 42; (7)ACD/KOC (pH 5.5): 503; (8)ACD/KOC (pH 7.4): 503; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 52.829 cm³; (15)Molar Volume: 165.566 cm³; (16)Polarizability: 20.943×10^-24cm³; (17)Surface Tension: 41.665 dyne/cm; (18)Density: 1.372 g/cm³; (19)Flash Point: 70.592 °C; (20)Enthalpy of Vaporization: 52.94 kJ/mol; (21)Boiling Point: 290.056 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCC(=O)CCc1ccccc1
(2)Std. InChI: InChI=1S/C10H11BrO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2
(3)Std. InChIKey: APAZZDBYJISGLX-UHFFFAOYSA-N

Product Name

1-Bromo-4-phenyl-2-Butanone

1-Bromo-4-phenyl-2-Butanone Specification

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