4-Amyloxy-4-biphenylcarbonitrile - CAS 52364-71-3
Catalog: |
BB053694 |
Product Name: |
4-Amyloxy-4-biphenylcarbonitrile |
CAS: |
52364-71-3 |
Synonyms: |
4'-Amyloxy-4-biphenylcarbonitrile 4-Amyloxy-4'-cyanobiphenyl 4'-Pentyloxy-4-biphenylcarbonitrile 5OCB |
Application: |
5-OCB may be used in indicators and storage devices. |
IUPAC Name: | 4-(4-pentoxyphenyl)benzonitrile |
Molecular Weight: | 265.35 |
Molecular Formula: | C18H19NO |
Canonical SMILES: | CCCCCOc1ccc(cc1)-c2ccc(cc2)C#N |
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 |
InChI Key: | RDISTOCQRJJICR-UHFFFAOYSA-N |
Boiling Point: | 418.0±38.0 °C at 760 mmHg |
Melting Point: | 52 °C |
Flash Point: | 113 °C(235.4 °F) |
Purity: | >98% by GC |
Density: | 1.1±0.1 g/cm3 |
Appearance: | White Powder |
MDL: | MFCD00074879 |
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: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.14666423 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.14666423 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 33 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5 |
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