4'-Ethyl[1,1'-biphenyl]-4-carbonitril
(1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-
Grundinformationen
- CAS
58743-75-2- Standard-SMILES
CCc1ccc(-c2ccc(C#N)cc2)cc1- InChIKey
DLLIPJSMDJCZRF-UHFFFAOYSA-N- Summenformel
- C15H13N
- Durchschnittliche Molmasse
- 207,27 g/mol
- Monoisotopische Masse
- 207,10479942
Namen und Bezeichner
- Bevorzugter Name
- (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-
- IUPAC
- 4-(4-ethylphenyl)benzonitrile
- Lokaler Name
- 4'-Ethyl[1,1'-biphenyl]-4-carbonitril
- Englischer Name
- 4-Cyano-4'-ethylbiphenyl
- Summenformel
- C15H13N
- Molmasse
- 207.27
Namen und Synonyme
58743-75-24-Cyano-4'-ethylbiphenyl4-ethyl-4'-cyanobiphenyl[1,1'-Biphenyl]-4-carbonitrile, 4'-ethyl-EINECS 261-414-74'-Ethyl[1,1'-biphenyl]-4-carbonitrileDTXSID2069284(1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-4'-Ethyl(1,1'-biphenyl)-4-carbonitrileRefChem:391103DTXCID4042464261-414-7
Weitere Namen anzeigen
2CBK64-Cyano-4RO-CM-5106-ethylbiphenyl4-Cyano-4´Ethyl benzonitrileEthyl DiphenylcyanideEthyl biphenyl nitrile4-Cyano-4'-ethlbiphenyl
4'-Ethyl-[1,1'-biphenyl]-4-carbonitrile4-(4-ethylphenyl)benzonitrileMFCD007994204-(4-ethylphenyl)benzenecarbonitrileSCHEMBL46518664'-Ethylbiphenyl-4-carbonitrilSCHEMBL253005594'-Ethyl-4-biphenylcarbonitrile
Datenbank-Bezeichner
- CAS
58743-75-2- PubChem CID
- 93890
- DTXSID
DTXSID2069284- EC Number
- 261-414-7
- Nikkaji
- J1.344G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,1
- Polarare Oberfläche (TPSA)
- 23,8 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 246
Experimentelle und physikochemische Eigenschaften
Chemical ClassesLiquid Crystal (LCM) Monomers
SpringerMaterials PropertiesChemical diffusion
Physikochemische Eigenschaften
- Schmelzpunkt
- 74 · 74-76°C
- Siedepunkt
- 202 · 202-205°C 3mm
- Dichte
- 1.07 · 1.07±0.1 g/cm3(Predicted)
- Flammpunkt
- 202 · 202-205°C/3mm
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- powder to crystal
- Farbe
- White to Almost white
- Wasserlöslichkeit
- insoluble
- InChI
- InChI=1S/C15H13N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-10H,2H2,1H3
- InChIKey
- DLLIPJSMDJCZRF-UHFFFAOYSA-N
- SMILES
- C1(C2=CC=C(CC)C=C2)=CC=C(C#N)C=C1
- CAS Datenbank
- 58743 · 58743-75-2(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · [1,1'-Biphenyl]-4-carbonitrile, 4'-ethyl- (58743-75-2)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationChemical: [1,1'-Biphenyl]-4-carbonitrile, 4'-ethyl-
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Sicherheitsdaten
- tsca
- TSCA listed
- ridadr
- 3276
- hs_code
- 29269095
- risk_code
- 20/21-36/37/38-41-20/21/22
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information[1,1'-Biphenyl]-4-carbonitrile, 4'-ethyl-: ACTIVE
Anwendungen
VerwendenIntermediates of Liquid Crystals
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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