4-Ethynyl-1,1'-biphenyl

4-biphenylacetylene · 4-biphenylylacetylene · ly81979 · 4-ETHYNYL-1 · 4-ethynyl-bipheny · 4-Ethynyl-1,1'-biphenyl · 1,1’-biphenyl,4-ethynyl · 1-(4-Biphenylyl)acetylene

https://huagongshe.com/de/chemical/34464

Molekülstruktur von 4-Ethynyl-1,1'-biphenyl

Identifikatoren & physikalische Daten

CAS No.	29079-00-3
Summenformel	C14H10
Durchschnittliche Molmasse	178,23 g/mol
Monoisotopische Masse	178,07825032 g/mol
SMILES	C#Cc1ccc(-c2ccccc2)cc1
InChIKey	BPBNKCIVWFCMJY-UHFFFAOYSA-N
PubChem CID	34464
ChEMBL	CHEMBL374163
EC No.	689-836-0
DTXSID	DTXSID40183326

Chemische & physikalische Eigenschaften

XLogP	4,5
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	0
Frei drehbare Bindungen	2
Schwere Atome	14
Formalladung	0
Komplexität	205
Schmelzpunkt	88-91 °C(lit.)
Siedepunkt	137 °C(Press: 3 Torr)
Dichte	1.06±0.1 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand	powder to crystal
Farbe	White to Light yellow
InChI	InChI=1S/C14H10/c1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13/h1,3-11H
InChIKey	BPBNKCIVWFCMJY-UHFFFAOYSA-N
SMILES	C1(C2=CC=CC=C2)=CC=C(C#C)C=C1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	2902900000
RTECS-Nr.	DV5290000
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36/37/39
Lagerklasse	11 - Combustible Solids

Anwendungen & Verwendung

Verwenden

4-Ethynyl-1,1''-biphenyl is a general reagent used in the alkynylation of indoles and C1 alkynylation of carbazoles. Also used in the synthesis of [3,2=c]coumarin derivatives using visible-light-promoted radical alkyne insertion.