2-Butanone,3-(3-bromophenyl)-4-(4-chlorophenyl)- supplier

Name
3-(3-Bromophenyl)-4-(4-chlorophenyl)butan-2-one
EINECS
CAS No. 848310-98-5
Article Data3
CAS DataBase
Density 1.395 g/cm³
Solubility
Melting Point
Formula C₁₆H₁₄BrClO
Boiling Point 388.045 °C at 760 mmHg
Molecular Weight 337.644
Flash Point 188.483 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(3-Bromophenyl)-4-(4-chlorophenyl)butan-2-one;4-(4-Chlorophenyl)-3-(3-bromophenyl)-2-butanone;
PSA 17.07000
LogP 5.01780

2-Butanone,3-(3-bromophenyl)-4-(4-chlorophenyl)- Specification

The 2-Butanone, 3-(3-bromophenyl)-4-(4-chlorophenyl)-, with the CAS registry number 848310-98-5, is also known as 3-(3-Bromphenyl)-4-(4-chlorphenyl)butan-2-on. It belongs to the product category of API Intermediates. This chemical's molecular formula is C₁₆H₁₄BrClO and molecular weight is 337.6388. What's more, its systematic name is 3-(3-Bromophenyl)-4-(4-chlorophenyl)butan-2-one.

Physical properties about 2-Butanone, 3-(3-bromophenyl)-4-(4-chlorophenyl)- are: (1)ACD/LogP: 5.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 1685; (6)ACD/BCF (pH 7.4): 1685; (7)ACD/KOC (pH 5.5): 7098; (8)ACD/KOC (pH 7.4): 7098; (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: 1.595; (14)Molar Refractivity: 82.173 cm³; (15)Molar Volume: 241.969 cm³; (16)Polarizability: 32.576×10^-24 cm³; (17)Surface Tension: 44.705 dyne/cm; (18)Density: 1.395 g/cm³; (19)Flash Point: 188.483 °C; (20)Enthalpy of Vaporization: 63.72 kJ/mol; (21)Boiling Point: 388.045 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(ccc1)C(C(=O)C)Cc2ccc(Cl)cc2
(2) InChI: InChI=1/C16H14BrClO/c1-11(19)16(13-3-2-4-14(17)10-13)9-12-5-7-15(18)8-6-12/h2-8,10,16H,9H2,1H3
(3) InChIKey: UXWQKWNHXQZIND-UHFFFAOYAU

Product Name

3-(3-Bromophenyl)-4-(4-chlorophenyl)butan-2-one

2-Butanone,3-(3-bromophenyl)-4-(4-chlorophenyl)- Specification

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