Cyclohepta-1,3-dien

cyclohepta-1,3-diene · 1,3-Cycloheptadiene · 1,3-Cycloheptadiene 95% · 1,3-CYCLOHEPTADIENE ISO 9001：2015 REACH

Identifikatoren & physikalische Daten

CAS No.	4054-38-0
Summenformel	C7H10
Durchschnittliche Molmasse	94,15 g/mol
Monoisotopische Masse	94,07825032 g/mol
SMILES	C1=CCCCC=C1
InChIKey	GWYPDXLJACEENP-UHFFFAOYSA-N
PubChem CID	19969
EC No.	223-762-8
DTXSID	DTXSID40193566
Lokaler Name	Cyclohepta-1,3-dien

XLogP	2,7
Polarare Oberfläche (TPSA)	0
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	0
Frei drehbare Bindungen	0
Schwere Atome	7
Formalladung	0
Komplexität	76,2
SpringerMaterials Properties	Schoenflies notation
Schmelzpunkt	-110.4°C
Siedepunkt	120-121 °C (lit.)
Dichte	0.868 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.498(lit.)
Flammpunkt	52 °F
Lagerbedingungen	2-8°C
Löslichkeit	619.2mg/L(temperature not stated)
BRN	1847604
Henry-Konstante	6.2×10-4 mol/(m3Pa) at 25℃, Hilal et al. (2008)
InChI	1S/C7H10/c1-2-4-6-7-5-3-1/h1-4H,5-7H2
InChIKey	GWYPDXLJACEENP-UHFFFAOYSA-N
SMILES	C1CC=CC=CC1

GHS-Einstufung	DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Flam. Liq. 2 (100%)
F	23
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 3295 3/PG 2
R-Sätze (R)	11-65
Gefahrensymbole	F,Xn
Sicherheitshinweise (S)	16-23-24/25-62
Gefahrenklasse	3.1Asp. Tox. 1Flam. Liq. 2
Verpackungsgruppe	II
Lagerklasse	3 - Flammable liquids

1,3-Cycloheptadiene was used in the preparation of enantiopure epoxy cycloheptenyl sulfones.