3-Cyclohexene-1-carbonitrile

4-CYANOCYCLOHEXENE · 4-(4-Butyl)phenol · 3-CYANOCYCLOHEXENE · TIMTEC-BB SBB007998 · 4-CYANOCYCLOHEXENE-1 · 3-Cyclohexenecyanide · 3-Cyklohexenylkyanid · -Cyano-1-cyclohexene

https://huagongshe.com/de/chemical/66013

Molekülstruktur von 3-Cyclohexene-1-carbonitrile

Identifikatoren & physikalische Daten

CAS No.	100-45-8
Summenformel	C7H9N
Durchschnittliche Molmasse	107,15 g/mol
Monoisotopische Masse	107,07349929 g/mol
SMILES	N#CC1CC=CCC1
InChIKey	GYBNBQFUPDFFQX-UHFFFAOYSA-N
PubChem CID	66013
EC No.	623-115-3
DTXSID	DTXSID70861706

Chemische & physikalische Eigenschaften

XLogP	1,5
Polarare Oberfläche (TPSA)	23,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	0
Schwere Atome	8
Formalladung	0
Komplexität	138
Siedepunkt	60°C 0,7mm
Dichte	0,96 g/cm3
Brechungsindex	1.4720-1.4750
Flammpunkt	65°C
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Insoluble in water
Aggregatzustand	clear liquid
Farbe	Colorless to Light orange to Yellow
InChI	InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-5H2
InChIKey	GYBNBQFUPDFFQX-UHFFFAOYSA-N
SMILES	C1(C#N)CCC=CC1
CAS Datenbank	100-45-8(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): 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 65 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 (100%)
UN-Transportnummer	3276
Zollcode	2926907090
RTECS-Nr.	GW2625000
R-Sätze (R)	20/21/22-36/37/38
Sicherheitshinweise (S)	26-36/37/39
Gefahrenklasse	6.1
Verpackungsgruppe	III