trans-4'-(4-Pentylcyclohexyl)-4-biphenylcarbonitrile - CAS 68065-81-6
Catalog: |
BB053696 |
Product Name: |
trans-4'-(4-Pentylcyclohexyl)-4-biphenylcarbonitrile |
CAS: |
68065-81-6 |
Synonyms: |
1'-Biphenyl)-4-carbonitrile,4'-(4-pentylcyclohexyl)-,trans-(1; 4'-(4-pentylcyclohexyl)-1'-biphenyl]-4-carbonitriltrans-[; 4'-(4-pentyl-cyclohexyl)-biphenyl-4-carbonitrile; BCH5; trans-4-(4-Pentylcyclohexyl)-4'-cyanobiphenyl; ZLI-1131; TRANS-4-CYANO-4'-(4-N-PEN |
IUPAC Name: | 4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile |
Molecular Weight: | 331.49 |
Molecular Formula: | C24H29N |
Canonical SMILES: | N#CC1=CC=C(C2=CC=C([C@H]3CC[C@H](CCCCC)CC3)C=C2)C=C1 |
InChI: | InChI=1S/C24H29N/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/h8-9,12-17,19,21H,2-7,10-11H2,1H3/t19-,21- |
InChI Key: | QKEBUASRTJNJJS-XUTJKUGGSA-N |
Boiling Point: | 479.2±34.0 °C at 760 mmHg |
Melting Point: | 95-97°C |
Purity: | >98% by GC |
Density: | 1.0±0.1 g/cm3 |
Appearance: | White Powder |
Storage: | Sealed in dry. Room temperature. |
MDL: | MFCD01076317 |
Refractive Index: | 1.53 |
Precautionary Statement: | 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. |
Signal Word: | Warning |
Complexity: | 409 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 331.229999929 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 331.229999929 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.2 |
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Related Functional Groups
Cyclohexane
Nitrogen Compounds
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