1-Ethynyl-3-methoxybenzene

3-Ethynylanisole · 3-Ethynyl Anisol · 3-Ethynylanisole 96 · 1-Etynyl-3-Methoxy-Benzene · 3-Methoxyphenylacetylene,96% · Benzene, 1-ethynyl-3-Methoxy- · 3-Methoxyphenylacetylene, tech · Benzene, 1-ethynyl-3-methoxy- (9CI)

https://huagongshe.com/de/chemical/640753

Molekülstruktur von 1-Ethynyl-3-methoxybenzene

Identifikatoren & physikalische Daten

CAS No.	768-70-7
Summenformel	C9H8O
Durchschnittliche Molmasse	132,16 g/mol
Monoisotopische Masse	132,05751488 g/mol
SMILES	C#Cc1cccc(OC)c1
InChIKey	ZASXCTCNZKFDTP-UHFFFAOYSA-N
PubChem CID	640753
ChEMBL	CHEMBL1288325
EC No.	877-966-2
DTXSID	DTXSID90348802

Chemische & physikalische Eigenschaften

XLogP	2,5
Polarare Oberfläche (TPSA)	9,2
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	2
Schwere Atome	10
Formalladung	0
Komplexität	142
Siedepunkt	204-210 °C (lit.)
Dichte	1.04 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.555(lit.)
Flammpunkt	170 °F
Lagerbedingungen	Keep in dark place,Sealed in dry,Room Temperature
Aggregatzustand	clear liquid
Farbe	Colorless to Light orange to Yellow
Löslichkeit	Slightly soluble in water.
InChI	InChI=1S/C9H8O/c1-3-8-5-4-6-9(7-8)10-2/h1,4-7H,2H3
InChIKey	ZASXCTCNZKFDTP-UHFFFAOYSA-N
SMILES	C1(C#C)=CC=CC(OC)=C1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH227 (100%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, 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	Flam. Liq. 4 (100%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 3334
Zollcode	29093090
R-Sätze (R)	10
Sicherheitshinweise (S)	3/9/49-15-36/37/39-43
Lagerklasse	10 - Combustible liquids

Anwendungen & Verwendung

Verwenden

It is a useful aromatic compound.