3-(3-Bromophenyl)cyclobutanone supplier

Name
3-(3-Bromophenyl)cyclobutanone
EINECS
CAS No. 885267-15-2
Article Data8
CAS DataBase
Density 1.522g/cm³
Solubility
Melting Point
Formula C₁₀H₉BrO
Boiling Point 307.4 °C at 760 mmHg
Molecular Weight 225.085
Flash Point 100.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(3-bromophenyl)cyclobutan-1-one;3-(3-Bromophenyl)cyclobutanone;
PSA 17.07000
LogP 2.89560

3-(3-Bromophenyl)cyclobutanone Specification

The 3-(3-Bromophenyl)cyclobutanone with cas registry number of 885267-15-2, is also called 3-(3-bromophenyl)cyclobutan-1-one.

Physical properties of 3-(3-Bromophenyl)cyclobutanone: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 24.8; (6)ACD/BCF (pH 7.4): 24.8; (7)ACD/KOC (pH 5.5): 346.56; (8)ACD/KOC (pH 7.4): 346.56; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.601; (14)Molar Refractivity: 50.71 cm³; (15)Molar Volume: 147.8 cm³; (16)Polarizability: 20.1×10^-24cm³; (17)Surface Tension: 47.7 dyne/cm; (18)Enthalpy of Vaporization: 54.79 kJ/mol; (19)Vapour Pressure: 0.000728 mmHg at 25°C.

You can still convert the following datas into molecular structure: (1)SMILES:Brc1cccc(c1)C2CC(=O)C2; (2)InChI:InChI=1/C10H9BrO/c11-9-3-1-2-7(4-9)8-5-10(12)6-8/h1-4,8H,5-6H2; (3)InChIKey:RLKCJCIUTBLVRJ-UHFFFAOYAY; (4)Std. InChI:InChI=1S/C10H9BrO/c11-9-3-1-2-7(4-9)8-5-10(12)6-8/h1-4,8H,5-6H2; (5)Std. InChIKey:RLKCJCIUTBLVRJ-UHFFFAOYSA-N.

Product Name

3-(3-Bromophenyl)cyclobutanone

3-(3-Bromophenyl)cyclobutanone Specification

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