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

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

Chemical Properties

Melting point 52 °C
Boiling point 418.0±38.0 °C(Predicted)
Density  1.07±0.1 g/cm3(Predicted)
Flash point >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  very faint turbidity in Toluene
form  liquid crystal (nematic)
color  White to Almost white
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 [1,1'-Biphenyl]-4-carbonitrile, 4'-(pentyloxy)- (52364-71-3)

Safety Information

Hazard Codes  Xn,Xi
Risk Statements  20/21/22-36/37/38
Safety Statements  26-36
RIDADR  3276
WGK Germany  3
RTECS  DV1764550
TSCA  TSCA listed
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

MSDS

Usage And Synthesis

Preparation Products And Raw materials

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