Grundinformationen
- Standard-SMILES
CCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1- InChIKey
GPGGNNIMKOVSAG-UHFFFAOYSA-N- Summenformel
- C21H25NO
- Durchschnittliche Molmasse
- 307,4 g/mol
- Monoisotopische Masse
- 307,19361442
Namen und Bezeichner
- Bevorzugter Name
- [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-
- IUPAC
- 4-(4-octoxyphenyl)benzonitrile
- Lokaler Name
- 4'-(Octyloxy)[1,1'-biphenyl]-4-carbonitril
- Englischer Name
- 4'-(Octyloxy)-4-biphenylcarbonitrile
- Summenformel
- C21H25NO
- Molmasse
- 307.43
Namen und Synonyme
52364-73-5[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-M 24 (liquid crystal)4-Cyano-4'-octoxybiphenyl4-(4-Octyloxyphenyl)benzonitrile4-OctyloxycyanodiphenylEINECS 257-878-5BRN 22183414'-(Octyloxy)-4-cyanobiphenyl4'-(Octyloxy)[1,1'-biphenyl]-4-carbonitrile4'-(Octyloxy)-(1,1'-biphenyl)-4-carbonitrile4'-(octyloxy)-[1,1'-biphenyl]-4-carbonitrile
Weitere Namen anzeigen
8OCBM-24RO-CM-5324m24(liquidcrystal)OCTYLOXYCYANOBIPHENYLOctoxybiphenylnitrile4-cyano-4-octylophenyl4-octoxy-4'-cyanobiphenyl4-Cyano-4’-octoxybiphenyl
(1,1'-Biphenyl)-4-carbonitrile, 4'-(octyloxy)-DTXSID90687484'-(Octyloxy)(1,1'-biphenyl)-4-carbonitrileRefChem:391098DTXCID6041183257-878-54'-(Octyloxy)-4-biphenylcarbonitrile4'-Octyloxy-[1,1'-biphenyl]-4-carbonitrile
Datenbank-Bezeichner
- CAS
52364-73-5- PubChem CID
- 104173
- DTXSID
DTXSID9068748- UNII
- DS9F86ARY6
- EC Number
- 257-878-5
- Nikkaji
- J21.997E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,7
- Polarare Oberfläche (TPSA)
- 33 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 23
- Formalladung
- 0
- Komplexität
- 342
Experimentelle und physikochemische Eigenschaften
Chemical ClassesLiquid Crystal (LCM) Monomers
SpringerMaterials PropertiesChemical diffusion
Physikochemische Eigenschaften
- Schmelzpunkt
- 51 · 51-77 °C (lit.)
- Siedepunkt
- 447.93 °C · 447.93°C (rough estimate)
- Dichte
- 1.0505 · 1.0505 (rough estimate)
- Brechungsindex
- 1.5614 · 1.5614 (estimate)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- liquid crystal (Nematic)
- Farbe
- White to Almost white
- InChI
- InChI=1S/C21H25NO/c1-2-3-4-5-6-7-16-23-21-14-12-20(13-15-21)19-10-8-18(17-22)9-11-19/h8-15H,2-7,16H2,1H3
- InChIKey
- GPGGNNIMKOVSAG-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(OCCCCCCCC)C=C2)=CC=C(C#N)C=C1
- NIST chemische Informationen
- Octyloxycyanobiphenyl(52364-73-5)
- EPA chemische Informationen
- 1 · [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)- (52364-73-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29269090
- RTECS-Nr.
- DV1764500
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Aquatic Chronic 4
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-: ACTIVE
Anwendungen
VerwendenIntermediates of Liquid Crystals
Vor- und nachgelagerte Produkte
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