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41122-71-8

41122-71-8 Structure

41122-71-8 Structure
IdentificationMore
[Name]

4'-Heptyl-4-biphenylcarbonitrile
[CAS]

41122-71-8
[Synonyms]

[4-(4'-N-HEPTYLOXYPHENYL)BENZONITRILE]
4-CYANO-4'-HEPTYLBIPHENYL
4-CYANO-4'-N-HEPTYLBIPHENYL
4'-HEPTYL-4-BIPHENYLCARBONITRILE
4-HEPTYL-4'-CYANO-BIPHENYL
4'-N-HEPTYL-4-BIPHENYLCARBONITRILE
4'-N-HEPTYLBIPHENYL-4-CARBONITRILE
7CB
1’-Biphenyl)-4-carbonitrile,4’-heptyl-(1
1’-biphenyl]-4-carbonitrile,4’-heptyl-[
4’-heptyl-biphenyl-4-carbonitrile
4'-Heptyl[1,1'-biphenyl]-4-carbonitrile
CB7
K21
RO-CM-5121
4-N-Heptyl-Biphenylcarbonitrile
4-(4'-n-heptylphenyl)benzonitrile
4'-Heptyl-4-cyanobiphenyl
[EINECS(EC#)]

255-229-0
[Molecular Formula]

C20H23N
[MDL Number]

MFCD00074915
[Molecular Weight]

277.4
[MOL File]

41122-71-8.mol
Questions And AnswerBack Directory
[Synthesis]

Synthetic route of 4'-Heptyl-4-biphenylcarbonitrile

Under nitrogen protection, 20 mmol of 4-bromobenzonitrile, 0.2 mmol of palladium acetate, 0.24 mmol of Ph3P and 3 mmol of zinc bromide were dissolved in 30 ml of THF, and then 50 ml of Grignard reagent prepared from 20 mmol of 4-n-heptylbromobenzene was added dropwise. After the addition was complete, the reaction was carried out at room temperature for 2 hours. The reaction mixture was then cooled in an ice-water bath, and 50 ml of a 1% (w/w) dilute salt solution was added dropwise. After the addition was complete, the mixture was stirred for 30 minutes. The organic phase was separated, and the aqueous phase was extracted twice with 50 ml of ethyl acetate. The organic phases were combined, washed twice with 50 ml of water, and the solvent was removed by rotary evaporation to obtain the crude product. The crude product was recrystallized from methanol and decolorized with activated carbon to obtain pure 4'-Heptyl-4-biphenylcarbonitrile. Yield: 68.2%.

Chemical PropertiesBack Directory
[Melting point ]

30-32°C
[Boiling point ]

210-211°C 2mm
[density ]

1.01±0.1 g/cm3(Predicted)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

almost transparency in Toluene
[form ]

powder to lump to clear liquid
[color ]

White or Colorless to Almost white or Almost colorless
[Usage]

Intermediates of Liquid Crystals
[InChI]

InChI=1S/C20H23N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h8-15H,2-7H2,1H3
[InChIKey]

ZGOWXOZNUNZPAV-UHFFFAOYSA-N
[SMILES]

C1(C2=CC=C(CCCCCCC)C=C2)=CC=C(C#N)C=C1
[CAS DataBase Reference]

41122-71-8(CAS DataBase Reference)
[NIST Chemistry Reference]

[1,1'-Biphenyl]-4-carbonitrile, 4'-heptyl-(41122-71-8)
[EPA Substance Registry System]

41122-71-8(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H413
[Precautionary statements ]

P264-P270-P273-P301+P312-P501
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

3276
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 4
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Uses]

Intermediates of Liquid Crystals
[General Description]

4′-Heptyl-4-biphenylcarbonitrile (7CB) belongs to the family of thermotropic liquid crystals from the CB family. Crystal transition temperature of 7CB is 15oC and it melts at 36oC. 1
Spectrum DetailBack Directory
[Spectrum Detail]

4'-Heptyl-4-biphenylcarbonitrile(41122-71-8)MS
4'-Heptyl-4-biphenylcarbonitrile(41122-71-8)1HNMR
4'-Heptyl-4-biphenylcarbonitrile(41122-71-8)13CNMR
4'-Heptyl-4-biphenylcarbonitrile(41122-71-8)IR1
4'-Heptyl-4-biphenylcarbonitrile(41122-71-8)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Cyano-4'-n-heptylbiphenyl, 99%(41122-71-8)
[Sigma Aldrich]

41122-71-8(sigmaaldrich)
[TCI AMERICA]

4-Cyano-4'-heptylbiphenyl,>95.0%(GC)(41122-71-8)
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