Bicyclo[2.2.1]hept-5-en-2-carbaldehyd

Bicyclo(2.2.1)hept-5-ene-2-carboxaldehyde

HCID 95117CAS 5453-80-5

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Grundinformationen

Standard-SMILES: O=CC1CC2C=CC1C2
InChIKey: AJIBZRIAUXVGQJ-UHFFFAOYSA-N
Summenformel: C8H10O
Durchschnittliche Molmasse: 122,16 g/mol
Monoisotopische Masse: 122,07316494

Namen und Bezeichner

Bevorzugter Name: Bicyclo(2.2.1)hept-5-ene-2-carboxaldehyde
IUPAC: bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
Lokaler Name: Bicyclo[2.2.1]hept-5-en-2-carbaldehyd
Englischer Name: 5-Norbornene-2-carboxaldehyde
Summenformel: C8H10O
Molmasse: 122.16

Namen und Synonyme

5-Norbornene-2-carboxaldehyde5453-80-5Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde2-Formyl-5-norbornene5-Formylbicyclohept-2-ene5-Norbornane-2-carboxaldehydeEINECS 226-698-9NSC 188975-Formylbicyclo-2-hepteneAI3-10023Bicyclo(2.2.1)hept-5-ene-2-carboxaldehydeDTXSID20884162

Weitere Namen anzeigen

5-NORBORNENE-2-CARBALDEHYDEAKOS BC-0598TIMTEC-BB SBB0057555-Formyl-2-norbornene.2-Formylnorborna-5-ene2- aldehyde 5-norbornene

Bicyclo[2.2.1]hept-5-en-2-aldehydeBicyclo[2.2.1]-5-hepten-2-yl-methanalBicyclo(2.2.1)hept-5-en-2-aldehydeBicyclo(2.2.1)-5-hepten-2-yl-methanalRefChem:119674DTXCID901001719AJIBZRIAUXVGQJ-UHFFFAOYSA-NBicyclo[2.2.1]hept-5-ene-2-carbaldehyde

Datenbank-Bezeichner

CAS: 5453-80-5
PubChem CID: 95117
DTXSID: DTXSID20884162
ChEMBL: CHEMBL4549018
EC Number: 226-698-9
Nikkaji: J218F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Siedepunkt: 67 · 67-70 °C12 mm Hg(lit.)
Dichte: 1.03 g/mL · 1.03 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.490(lit.)
Flammpunkt: 123 °F · 123 °F
storage temp.: Flammables area
Aggregatzustand: Powder
Wichte: 1.032 · 1.032
Farbe: White to yellow to beige
Wasserlöslichkeit: insoluble
BRN: 1363813 · 1363813
InChI: InChI=1S/C8H10O/c9-5-8-4-6-1-2-7(8)3-6/h1-2,5-8H,3-4H2
InChIKey: AJIBZRIAUXVGQJ-UHFFFAOYSA-N
SMILES: C12CC(C=C1)CC2C=O
CAS Datenbank: 5453 · 5453-80-5(CAS DataBase Reference)
NIST chemische Informationen: 2.2 · Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde(5453-80-5)
EPA chemische Informationen: 2.2 · Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde (5453-80-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationChemical: Bicyclo[2.2.1]hept-5-ene-2-carboxaldehyde

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: UN 1989 3/PG 3
hs_code: 29122990
risk_code: 10-36/37/38
hazard_code: Xi
safety_code: 23-37/39-26-16
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Flam. Liq. 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBicyclo[2.2.1]hept-5-ene-2-carboxaldehyde: INACTIVE

Anwendungen · 1 Eintrag

Verwenden5-Norbornene-2-carboxaldehyde was used in transition metal-catalyzed synthesis of norbornene-derived homopolymers having pendent t-Boc-protected quinizarin moieties for patterned fluorescence images. It acts as Diels-Alder adduct of acrolein and cyclopentadiene. It can be used as protected form of acrolein, from which the double bond may be liberated by cycloreversion, e.g. in a useful synthesis of 2-vinylimidazole.