4'-(Hexyloxy)-4-biphenylcarbonitrile Structure

4'-(Hexyloxy)-4-biphenylcarbonitrile

Chemical Properties

Melting point 56-58 °C(lit.)
Boiling point 430.5±38.0 °C(Predicted)
Density  1.05±0.1 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
form  liquid crystal (nematic)
color  White to Almost white
Water Solubility  Slightly soluble in water.
λmax 298nm(EtOH)(lit.)
InChI 1S/C19H21NO/c1-2-3-4-5-14-21-19-12-10-18(11-13-19)17-8-6-16(15-20)7-9-17/h6-13H,2-5,14H2,1H3
InChIKey YUYXUPYNSOFWFV-UHFFFAOYSA-N
SMILES CCCCCCOc1ccc(cc1)-c2ccc(cc2)C#N
CAS DataBase Reference 41424-11-7
EWG's Food Scores 1
NIST Chemistry Reference [1,1'-Biphenyl]-4-carbonitrile, 4'-(hexyloxy)-(41424-11-7)
EPA Substance Registry System [1,1'-Biphenyl]-4-carbonitrile, 4'-(hexyloxy)- (41424-11-7)
UNSPSC Code 12352103
NACRES NA.23

Safety

Symbol(GHS) Exclamation Mark (GHS07)Skull and Crossbones (GHS06)
Signal wordWarning
Hazard statements H413
Precautionary statements P273
Hazard Codes  Xn
Risk Statements  20/21/22-36/37/38
Safety Statements  26-36
WGK Germany  3
RTECS  DV1764200
TSCA  TSCA listed
HS Code  29269090
Storage Class 11 - Combustible Solids
Hazard Classifications Aquatic Chronic 4
Toxicity LD50 oral in rat: > 10gm/kg
NFPA 704:
1
2 0

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