ChemicalBook--->CAS DataBase List--->5731-01-1

5731-01-1

5731-01-1 Structure

5731-01-1 Structure
IdentificationMore
[Name]

4-ACETYL-4'-BROMOBIPHENYL
[CAS]

5731-01-1
[Synonyms]

4'-(4-BROMOPHENYL)ACETOPHENONE
4-(4-BROMOPHENYL)ACETOPHENONE
4-ACETYL-4'-BROMOBIPHENYL
4-ACETYL-4'-BROMODIPHENYL
4'-(P-BROMOPHENYL)ACETOPHENONE
AKOS BAR-2458
TIMTEC-BB SBB005889
Acetylbromodiphenyl
1-(4'-bromo[1,1'-biphenyl]-4-yl)ethan-1-one
4-Acetyl-4'-bromobiphenyl 90%
4-(4-BROMOPHENYL)ACETOPHENONE 98%
4'-(p-Bromophenyl)acetophenone
1-(4'-Bromo-1,1'-biphenyl-4-yl)ethanone
4-Acetyl-4'-bromo-1,1'-biphenyl
4-Bromo-4'-acetylbiphenyl
[EINECS(EC#)]

227-236-9
[Molecular Formula]

C14H11BrO
[MDL Number]

MFCD00143242
[Molecular Weight]

275.14
[MOL File]

5731-01-1.mol
Chemical PropertiesBack Directory
[Appearance]

White or pale brown solid
[Melting point ]

129-133 °C(lit.)
[Boiling point ]

372.1±17.0 °C(Predicted)
[density ]

1.359±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

soluble in Toluene
[form ]

powder to crystal
[color ]

White to Orange to Green
[BRN ]

2048590
[InChI]

InChI=1S/C14H11BrO/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h2-9H,1H3
[InChIKey]

UUVKNCRMWPNBNM-UHFFFAOYSA-N
[SMILES]

C(=O)(C1=CC=C(C2=CC=C(Br)C=C2)C=C1)C
[CAS DataBase Reference]

5731-01-1(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H319-H411
[Precautionary statements ]

P273-P305+P351+P338
[Hazard Codes ]

Xi,N
[Risk Statements ]

R36:Irritating to the eyes.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S24/25:Avoid contact with skin and eyes .
S22:Do not breathe dust .
[RIDADR ]

UN 3077 9/PG 3
[WGK Germany ]

3
[HS Code ]

2914790090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Chronic 2
Eye Irrit. 2
Hazard InformationBack Directory
[Chemical Properties]

White or pale brown solid
[Uses]

4-Acetyl-4'-bromobiphenyl is mainly used as a reagent for experimental organic synthesis or reactions, including substitution reactions or the synthesis and polymerisation of biphenyl derivatives.
[Synthesis]

Dichloromethane was added to Aluminium chloride. The mixture was stirred and cooled to 5 °C in a salt/ice bath. Acetyl chloride was quickly added through a dropping funnel and cooled to ? 3 °C to give a transparent yellow solution. Solid 4-bromobiphenyl was added in small amounts and stirred; wait for ? an hour, then add more. The mixture was stirred for ten hours, rising to 15 °C. The mixture was poured into a bucket of ice /37 percent HCl to destroy the aluminum chloride, then transferred to a separatory funnel and extracted into DCM. Then, the mixture was washed twice with water to destroy HCl. Again, it was washed with 10 percent NaOH and water. The collected DCM layer was dried over magnesium sulfate, mostly filtered by gravity. The solvent was removed in vacuo, and the residue was re-crystallized through ethanol to yield 4-Acetyl-4'-bromobiphen
[References]

[1] Journal of Molecular Liquids, 2012, vol. 175, p. 72 - 84
[2] Macromolecules, 2004, vol. 37, # 7, p. 2442 - 2449
[3] Molecular Crystals and Liquid Crystals Science and Technology, Section A: Molecular Crystals and Liquid Crystals, 1992, vol. 213, p. 187 - 206
[4] Journal of the Chemical Society, 1934, p. 869,871
[5] Journal of the Chemical Society [Section] C: Organic, 1966, p. 840 - 845
Spectrum DetailBack Directory
[Spectrum Detail]

4-ACETYL-4'-BROMOBIPHENYL(5731-01-1)MS
4-ACETYL-4'-BROMOBIPHENYL(5731-01-1)1HNMR
4-ACETYL-4'-BROMOBIPHENYL(5731-01-1)13CNMR
4-ACETYL-4'-BROMOBIPHENYL(5731-01-1)IR1
4-ACETYL-4'-BROMOBIPHENYL(5731-01-1)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4'-(4-Bromophenyl)acetophenone, 97%(5731-01-1)
[Sigma Aldrich]

5731-01-1(sigmaaldrich)
[TCI AMERICA]

4-Acetyl-4'-bromobiphenyl,>95.0%(GC)(5731-01-1)
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