4-Biphenylacetonitrile

HCID 35856CAS 31603-77-7

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: N#CCc1ccc(-c2ccccc2)cc1
InChIKey: HSZCNGTZJWZAMF-UHFFFAOYSA-N
Summenformel: C14H11N
Durchschnittliche Molmasse: 193,24 g/mol
Monoisotopische Masse: 193,08914935

Namen und Bezeichner

Bevorzugter Name: 4-Biphenylacetonitrile
IUPAC: 2-(4-phenylphenyl)acetonitrile
Englischer Name: 4-Biphenylacetonitrile
Summenformel: C14H11N
Molmasse: 193.24

Namen und Synonyme

4-BiphenylacetonitrileRefChem:518557622-759-231603-77-72-([1,1'-Biphenyl]-4-yl)acetonitrile2-(4-phenylphenyl)acetonitrilep-BiphenylacetonitrileMFCD00016403[1,1'-Biphenyl]-4-acetonitrilep-Biphenylylacetonitrile4-Biphenylylacetonitrilep-Phenyl benzyl cyanide

Weitere Namen anzeigen

AKOS BAR-0894TIMTEC-BB SBB005894biphenylacetonitrile4-Biphenylacetonitri4-CYANOMETHYLDIPHENYL4-PHENYLBENZYL CYANIDE4-DIPHENYLACETONITRILE

4-CYANOMETHYLBIPHENYL4-PhenylphenylacetonitrileNSC114981DTXSID50185492NSC 114981NSC-114981GS-31502-{[1,1'-biphenyl]-4-yl}acetonitrile

Datenbank-Bezeichner

CAS: 31603-77-7
PubChem CID: 35856
DTXSID: DTXSID50185492
EC Number: 622-759-2
Nikkaji: J126.371D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 15
Formalladung: 0
Komplexität: 223

Physikochemische Eigenschaften

Schmelzpunkt: 88 · 88-92 °C (lit.)
Siedepunkt: 146 · 146-150°C 0,03mm
Dichte: 1.068 · 1.068±0.06 g/cm3(Predicted)
Flammpunkt: 146 · 146-150°C/0.03m
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Grey Pink
BRN: 1867255 · 1867255
InChI: 1S/C14H11N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10H2
InChIKey: HSZCNGTZJWZAMF-UHFFFAOYSA-N
SMILES: N#CCc1ccc(cc1)-c2ccccc2
CAS Datenbank: 31603 · 31603-77-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (14.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (14.9%)

Sicherheitsdaten

wgk: 3
ridadr: 3276
hs_code: 29269090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 6.1
packing_group: III
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4-Biphenylacetonitrile was used to study the adsorption orientation of the biphenyl derivatives on the Au colloidal surfaces with α-cyclodextrins.