4-Cyano-4''-pentyl-p-terphenyl
Catalog Number
ACM54211460-1
CAS
54211-46-0
IUPAC Name
4-[4-(4-pentylphenyl)phenyl]benzonitrile
Molecular Weight
325.46
Molecular Formula
C24H23N
Product Information
Canonical SMILES
CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C24H23N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h6-17H,2-5H2,1H3
InChI Key
AITQOXOBSMXBRV-UHFFFAOYSA-N
Melting Point
130 °C
Purity
>98.0%(GC)
Appearance
White to Almost white powder to crystal
Complexity
409
Exact Mass
325.18305g/mol
Hazard Statements
H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
Heavy Atom Count
25
MDL Number
MFCD00799423
Monoisotopic Mass
325.18305g/mol
Precautionary Statements
P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.
Reaxys Registry Number
2003371
Refractive Index
1.53
Rotatable Bond Count
6
Signal Word
Warning
Specific Gravity
1.02
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