4'-Cyano-4-dodecyloxybiphenyl
Catalog Number
ACM57125505-2
CAS
57125-50-5
IUPAC Name
4-(4-dodecoxyphenyl)benzonitrile
Synonyms
4'-Dodecyloxy-4-biphenylcarbonitrile
Molecular Weight
363.55
Molecular Formula
C25H33NO
Product Information
Canonical SMILES
CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C25H33NO/c1-2-3-4-5-6-7-8-9-10-11-20-27-25-18-16-24(17-19-25)23-14-12-22(21-26)13-15-23/h12-19H,2-11,20H2,1H3
InChI Key
WYSZDBDWXPAHDS-UHFFFAOYSA-N
Melting Point
84-92 ºC
Purity
98%+
Solubility
soluble in Toluene
Appearance
White to Almost white powder to crystal
Storage
Sealed in dry. Room temperature.
Complexity
396
Exact Mass
363.256215g/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
27
MDL Number
MFCD01941019
Monoisotopic Mass
363.256215g/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
2874867
Refractive Index
1.53
Rotatable Bond Count
13
Signal Word
Warning
Specific Gravity
1.03
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