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4,4'-Bis(2-bromoacetyl)biphenyl

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Name

4,4'-Bis(2-bromoacetyl)biphenyl

EINECS 223-785-3
CAS No. 4072-67-7 Density 1.622 g/cm3
PSA 34.14000 LogP 4.50880
Solubility N/A Melting Point 226-227 °C(Solv: benzene (71-43-2))
Formula C16H12Br2O2 Boiling Point 464.8 °C at 760 mmHg
Molecular Weight 396.078 Flash Point 121.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4072-67-7 (4,4'-Bis(2-bromoacetyl)biphenyl) Hazard Symbols N/A
Synonyms

4',4'''-Biacetophenone,2,2''-dibromo- (6CI,7CI,8CI);1,1'-[1,1'-Biphenyl]-4,4'-diylbis[2-bromoethan-1-one];4,4'-Bis(2-bromoacetyl)biphenyl;4,4'-Bis(bromoacetyl)biphenyl;NSC 619613;p,p'-Bis(bromoacetyl)biphenyl;a,a'-Dibromo-4,4'-biacetophenone;

Article Data 35

4,4'-Bis(2-bromoacetyl)biphenyl Specification

The 4,4'-Bis(2-bromoacetyl)biphenyl with its cas register number is 4072-67-7. It also can be called as  2-Bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone and the IUPAC Name about this chemical is 2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone.

Physical properties about 4,4'-Bis(2-bromoacetyl)biphenyl are: (1)ACD/LogP: 4.10; (2)ACD/LogD (pH 5.5): 4.1; (3)ACD/LogD (pH 7.4): 4.1; (4)ACD/BCF (pH 5.5): 765.58; (5)ACD/BCF (pH 7.4): 765.58; (6)ACD/KOC (pH 5.5): 4036.09; (7)ACD/KOC (pH 7.4): 4036.09; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 34.14Å2; (11)Index of Refraction: 1.625; (12)Molar Refractivity: 86.36 cm3; (13)Molar Volume: 244.1 cm3; (14)Polarizability: 34.23x10-24cm3; (15)Surface Tension: 51.8 dyne/cm; (16)Enthalpy of Vaporization: 72.63 kJ/mol; (17)Vapour Pressure: 8.12E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by 4,4'-Diacetyl-biphenyl. This reaction will need reagent bromine.

Uses of 4,4'-Bis(2-bromoacetyl)biphenyl: it can be used to produce 4,4'-Bis(2-bromoacetyl)biphenyl with 2,2'-dibromo-1,1'-biphenyl-4,4'-diyl-bis-ethanone at Ambient temperature. It will need reagent tetrahydrofuran and methanol. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)CBr)C(=O)CBr
(2)InChI: InChI=1S/C16H12Br2O2/c17-9-15(19)13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(20)10-18/h1-8H,9-10H2 
(3)InChIKey: RTSLQVZQORGDQQ-UHFFFAOYSA-N 

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