(Prop-2-yn-1-yl)cyclopentane

HCID 521007CAS 116279-08-4

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Grundinformationen

Standard-SMILES: C#CCC1CCCC1
InChIKey: VBTCAHMANZTRMG-UHFFFAOYSA-N
Summenformel: C8H12
Durchschnittliche Molmasse: 108,18 g/mol
Monoisotopische Masse: 108,09390038

Namen und Bezeichner

Bevorzugter Name: (Prop-2-yn-1-yl)cyclopentane
IUPAC: prop-2-ynylcyclopentane
Englischer Name: 3-Cyclopentyl-1-propyne
Summenformel: C8H12
Molmasse: 108.18

Namen und Synonyme

(Prop-2-yn-1-yl)cyclopentaneRefChem:406882624-778-13-Cyclopentyl-1-propyne116279-08-4prop-2-ynylcyclopentaneMFCD00041559Cyclopentylpropyne3-cyclopentylpropyne2-Propynylcyclopentane3-cyclopentylprop-1-yne(2-propynyl)cyclopentane

Weitere Namen anzeigen

TIMTEC-BB SBB008891cyclopentane,2-propynyl-3-CYCLOPENTYL-1-PROPYNE 98%Cyclopentane, 2-propyn-1-yl-

2-Propynylcyclopentane #Prop-2-ynyl-cyclopentane2-Propyn-1-yl cyclopentaneSCHEMBL235988SCHEMBL542962SCHEMBL3341678SCHEMBL107638363-Cyclopentyl-1-propyne, 97%

Datenbank-Bezeichner

CAS: 116279-08-4
PubChem CID: 521007
DTXSID: DTXSID60334530
EC Number: 624-778-1
Nikkaji: J1.279.604H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 0 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 98,5

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesDensity

Physikochemische Eigenschaften

Schmelzpunkt: 132 · 132-134 °C
Siedepunkt: 132 · 132-134 °C (lit.)
Dichte: 0.827 g/mL · 0.827 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.4490(lit.)
Flammpunkt: 69.8 °F · 69.8 °F
storage temp.: 2 · 2-8°C, stored under nitrogen
Löslichkeit: Not miscible or difficult to mix.
BRN: 2424582 · 2424582
InChI: 1S/C8H12/c1-2-5-8-6-3-4-7-8/h1,8H,3-7H2
InChIKey: VBTCAHMANZTRMG-UHFFFAOYSA-N
SMILES: C#CCC1CCCC1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P316, P301+P317, P303+P361+P353, P305+P354+P338, P317, P330, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Sicherheitsdaten

wgk: 2
ridadr: UN 1993 3/PG 3
hs_code: 29029000
risk_code: 10-22-41
hazard_code: Xn
safety_code: 16-26-36/39
hazard_class: 3
packing_group: II
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2

Chemie und Industrie

Anwendungen

Verwenden3-Cyclopentylpropyne is a useful building block. Due to the fact that it has a terminal alkyne it can be used to explore regioselective reactions.