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52364-71-3

52364-71-3 Structure

52364-71-3 Structure
IdentificationMore
[Name]

4-Pentyloxy-[1,1'-biphenyl]-4'-carbonitrile
[CAS]

52364-71-3
[Synonyms]

[4-(4'-N-PENTYLOXYPHENYL)BENZONITRILE]
4-CYANO-4'-N-PENTYLOXYBIPHENYL
4-CYANO-4'-PENTYLOXYBIPHENYL
4'-N-AMYLOXY-4-BIPHENYLCARBONITRILE
4-N-AMYLOXY-4'-CYANOBIPHENYL
4'-N-PENTYLOXY-4-BIPHENYLCARBONITRILE
4'N-PENTYLOXYBIPHENYL-4-CARBONITRILE
4'-(PENTYLOXY)-4-BIPHENYLCARBONITRILE
4-PENTYLOXY-4'-BIPHENYLCARBONITRILE
4-PENTYLOXY-4'-CYANOBIPHENYL
5OCB
AKOS BAR-2143
TIMTEC-BB SBB008639
1’-biphenyl)-4-carbonitrile,4’-(pentyloxy)-(
1’-biphenyl]-4-carbonitrile,4’-(pentyloxy)-[
4'-(Pentyloxy)[1,1'-biphenyl]-4-carbonitrile
4’-(pentyloxy)-(1,1’-biphenyl)-4-carbonitrile
4-amyloxycyanodiphenyl
4-cyano-4’-pentyloxydiphenyl
5cob
[EINECS(EC#)]

257-875-9
[Molecular Formula]

C18H19NO
[MDL Number]

MFCD00074879
[Molecular Weight]

265.35
[MOL File]

52364-71-3.mol
Questions And AnswerBack Directory
[Uses]

4'-Pentyloxy-[1,1'-biphenyl]-4-carbonitrile (cas# 52364-71-3) is a useful research chemical.
Chemical PropertiesBack Directory
[Melting point ]

52 °C
[Boiling point ]

418.0±38.0 °C(Predicted)
[density ]

1.07±0.1 g/cm3(Predicted)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

very faint turbidity in Toluene
[form ]

liquid crystal (nematic)
[color ]

White to Almost white
[Usage]

Intermediates of Liquid Crystals
[InChI]

InChI=1S/C18H19NO/c1-2-3-4-13-20-18-11-9-17(10-12-18)16-7-5-15(14-19)6-8-16/h5-12H,2-4,13H2,1H3
[InChIKey]

RDISTOCQRJJICR-UHFFFAOYSA-N
[SMILES]

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

52364-71-3(CAS DataBase Reference)
[NIST Chemistry Reference]

[1,1'-Biphenyl]-4-carbonitrile, 4'-(pentyloxy)-(52364-71-3)
[EPA Substance Registry System]

52364-71-3(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[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
[RTECS ]

DV1764550
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29269090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Chronic 4
[Toxicity]

LD50 oral in rat: > 5gm/kg
Hazard InformationBack Directory
[Chemical Properties]

White liquid
[General Description]

4′-(Pentyloxy)-4-biphenylcarbonitrile (5-OCB) liquid crystals are the member of the oxycyanobiphenyl family. It exhibits liquid crystalline phase in the temperature range of 47-67.5oC. Crystal and molecular structure of 5-OCB was reported. The crystals belong to the monoclinic system (a=21.378, b=5.695, c=12.789?). The 5-OCB molecules are antiparallel in layers. H NMR of the phase transitions has been studied.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Pentyloxy-[1,1'-biphenyl]-4'-carbonitrile(52364-71-3)MS
4-Pentyloxy-[1,1'-biphenyl]-4'-carbonitrile(52364-71-3)1HNMR
4-Pentyloxy-[1,1'-biphenyl]-4'-carbonitrile(52364-71-3)13CNMR
4-Pentyloxy-[1,1'-biphenyl]-4'-carbonitrile(52364-71-3)IR1
4-Pentyloxy-[1,1'-biphenyl]-4'-carbonitrile(52364-71-3)IR2
4-Pentyloxy-[1,1'-biphenyl]-4'-carbonitrile(52364-71-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Cyano-4'-n-pentyloxybiphenyl, 99%(52364-71-3)
[Sigma Aldrich]

52364-71-3(sigmaaldrich)
[TCI AMERICA]

4-Cyano-4'-pentyloxybiphenyl,>98.0%(GC)(52364-71-3)
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