1-Butanone, 4-bromo-1-(3,4-dimethylphenyl)- supplier

Name
4-BROMO-1-(3,4-DIMETHYLPHENYL)BUTAN-1-ONE
EINECS
CAS No. 175204-93-0
Density 1.277 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₅BrO
Boiling Point 349.4 °C at 760 mmHg
Molecular Weight 255.15
Flash Point 67.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms GAMMA-BROMO-3,4-DIMETHYL BUTYROPHENONE;4-BROMO-1-(3,4-DIMETHYLPHENYL)BUTAN-1-ONE;4-BROMO-3,4-DIMETHYLBUTYROPHENONE
PSA 17.07000
LogP 3.66120

1-Butanone, 4-bromo-1-(3,4-dimethylphenyl)- Specification

This chemical is called 1-Butanone, 4-bomo-1-(3,4-dimethylphenyl)-, and its systematic name is 4-bromo-1-(3,4-dimethylphenyl)butan-1-one. With the molecular formula of C₁₂H₁₅BrO, its molecular weight is 255.15. The CAS registry number of this chemical is 175204-93-0.

Other characteristics of the 1-Butanone, 4-bomo-1-(3,4-dimethylphenyl)- can be summarised as followings: (1)ACD/LogP: 3.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.84; (4)ACD/LogD (pH 7.4): 3.84; (5)ACD/BCF (pH 5.5): 490.92; (6)ACD/BCF (pH 7.4): 490.92; (7)ACD/KOC (pH 5.5): 2936.5; (8)ACD/KOC (pH 7.4): 2936.5; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 62.92 cm³; (15)Molar Volume: 199.7 cm³; (16)Polarizability: 24.94×10^-24cm³; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.277 g/cm³; (19)Flash Point: 67.7 °C; (20)Enthalpy of Vaporization: 59.39 kJ/mol; (21)Boiling Point: 349.4 °C at 760 mmHg; (22)Vapour Pressure: 4.71E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: BrCCCC(=O)c1cc(c(cc1)C)C
2.InChI: InChI=1/C12H15BrO/c1-9-5-6-11(8-10(9)2)12(14)4-3-7-13/h5-6,8H,3-4,7H2,1-2H3
3.InChIKey: KJAHFTGHLQRZGA-UHFFFAOYAZ

Product Name

4-BROMO-1-(3,4-DIMETHYLPHENYL)BUTAN-1-ONE

1-Butanone, 4-bromo-1-(3,4-dimethylphenyl)- Specification

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