4'-(Octyloxy)[1,1'-biphenyl]-4-carbonitril

8OCB · M-24 · RO-CM-5324 · m24(liquidcrystal) · OCTYLOXYCYANOBIPHENYL · Octoxybiphenylnitrile · 4-cyano-4-octylophenyl · 4-octyloxycyanodiphenyl

Identifikatoren & physikalische Daten

CAS No.	52364-73-5
Summenformel	C21H25NO
Durchschnittliche Molmasse	307,4 g/mol
Monoisotopische Masse	307,19361442 g/mol
SMILES	CCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey	GPGGNNIMKOVSAG-UHFFFAOYSA-N
PubChem CID	104173
EC No.	257-878-5
DTXSID	DTXSID9068748
Lokaler Name	4'-(Octyloxy)[1,1'-biphenyl]-4-carbonitril

XLogP	6,7
Polarare Oberfläche (TPSA)	33
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	9
Schwere Atome	23
Formalladung	0
Komplexität	342
Stoffklassen	Liquid Crystal (LCM) Monomers
SpringerMaterials Properties	Chemical diffusion
Schmelzpunkt	51-77 °C (lit.)
Siedepunkt	447.93°C (rough estimate)
Dichte	1.0505 (rough estimate)
Brechungsindex	1.5614 (estimate)
Flammpunkt	>230 °F
Lagerbedingungen	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'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)- (52364-73-5)

GHS-Einstufung	WarningH312 (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.
Hazard Classes and Categories	Acute Tox. 4 (97.6%)
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
Zollcode	29269090
RTECS-Nr.	DV1764500
R-Sätze (R)	20/21/22-36/37/38
Gefahrensymbole	Xn,Xi
Sicherheitshinweise (S)	26-36
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Aquatic Chronic 4

Intermediates of Liquid Crystals