2-Bromo-3-methyl-1-phenylbutan-1-one supplier

Name
2-Bromo-3-methyl-1-phenylbutan-1-one
EINECS
CAS No. 50735-03-0
Article Data15
CAS DataBase
Density 1.307 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₃BrO
Boiling Point 276.05 °C at 760 mmHg
Molecular Weight 241.128
Flash Point 38.099 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms UKRORGSYN-BB BBV-105535;
PSA 17.07000
LogP 3.28880

2-Bromo-3-methyl-1-phenylbutan-1-one Specification

The 2-Bromo-3-methyl-1-phenylbutan-1-one, with the CAS registry number 50735-03-0, is also known as UKRORGSYN-BB BBV-105535. This chemical's molecular formula is C₁₁H₁₃BrO and molecular weight is 241.1243. What's more, its systematic name is 2-Bromo-3-methyl-1-phenylbutan-1-one.

Physical properties about 2-Bromo-3-methyl-1-phenylbutan-1-one are: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 232; (6)ACD/BCF (pH 7.4): 232; (7)ACD/KOC (pH 5.5): 1720; (8)ACD/KOC (pH 7.4): 1720; (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: 1.54; (14)Molar Refractivity: 57.829 cm³; (15)Molar Volume: 184.419 cm³; (16)Polarizability: 22.925×10^-24 cm³; (17)Surface Tension: 38.278 dyne/cm; (18)Density: 1.307 g/cm³; (19)Flash Point: 38.099 °C; (20)Enthalpy of Vaporization: 51.454 kJ/mol; (21)Boiling Point: 276.05 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccccc1)C(Br)C(C)C
(2) InChI: InChI=1/C11H13BrO/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10H,1-2H3
(3) InChIKey: UCCCJNBTIJWCPF-UHFFFAOYAU

Product Name

2-Bromo-3-methyl-1-phenylbutan-1-one

2-Bromo-3-methyl-1-phenylbutan-1-one Specification

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