Cyclohept-2-en-1-on

cyclohept-2-en-1-one · Tropilene · NSC 155333 · 2-Cycloheptenone · Cyclohept-2-enone · 2-CYCLOHEPTEN-1-ONE · (Z)-cyclohept-2-enone · 2-CYCLOHEPTEN-1-ONE, TECH., 80%

https://huagongshe.com/de/chemical/70723

Identifikatoren & physikalische Daten

CAS No.	1121-66-0
Summenformel	C7H10O
Durchschnittliche Molmasse	110,15 g/mol
Monoisotopische Masse	110,07316494 g/mol
SMILES	O=C1C=CCCCC1
InChIKey	WZCRDVTWUYLPTR-UHFFFAOYSA-N
PubChem CID	70723
EC No.	214-334-1
DTXSID	DTXSID30149916
Lokaler Name	Cyclohept-2-en-1-on

Chemische & physikalische Eigenschaften

XLogP	1,4
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	8
Formalladung	0
Komplexität	114
Kovats Retention Index	10201024
Siedepunkt	183°C(lit.)
Dichte	0.988 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.494(lit.)
Flammpunkt	155 °F
Lagerbedingungen	2-8°C
Aggregatzustand	clear liquid
Farbe	Colorless to Light orange to Yellow
InChI	InChI=1S/C7H10O/c8-7-5-3-1-2-4-6-7/h3,5H,1-2,4,6H2
InChIKey	WZCRDVTWUYLPTR-UHFFFAOYSA-N
SMILES	C1(=O)CCCCC=C1
NIST chemische Informationen	2-Cyclohepten-1-one(1121-66-0)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	1
Zollcode	2914290090
R-Sätze (R)	22
Gefahrensymbole	Xn
Lagerklasse	10 - Combustible liquids
Gefahrenklasse	Acute Tox. 4 Oral

Anwendungen & Verwendung

Verwenden

A cycloheptenone derivative, a key intermediate for the synthesis of perhydroazulene terpenoids.