Indole-7-carboxaldehyde

HCID 2734629CAS 1074-88-0

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Grundinformationen

Standard-SMILES: O=Cc1cccc2cc[nH]c12
InChIKey: XQVZDADGTFJAFM-UHFFFAOYSA-N
Summenformel: C9H7NO
Durchschnittliche Molmasse: 145,16 g/mol
Monoisotopische Masse: 145,05276384

Überblick

Indole-7-carboxaldehyde is a member of indoles.

Namen und Bezeichner

Bevorzugter Name: Indole-7-carboxaldehyde
IUPAC: 1H-indole-7-carbaldehyde
Englischer Name: Indole-7-carboxaldehyde
Summenformel: C9H7NO
Molmasse: 145.16

Namen und Synonyme

Indole-7-carboxaldehyde1074-88-0DTXSID50370407RefChem:148204DTXCID80321442XQVZDADGTFJAFM-UHFFFAOYSA-N1H-indole-7-carbaldehyde7-FormylindoleMFCD01318152indole-7-carbaldehyde1H-INDOLE-7-CARBOXALDEHYDE7-Indolecarboxaldehyde

Weitere Namen anzeigen

1H-INDOLE-5-CARBALDEHYDEe-7-carboxaL7-IndolealdehydeINDOLE-7-ALDEHYDE7-Formyl-1H-indoleRARECHEM AH BS 0111

7-indole carboxaldehydeIndole-7-carboxaldehyde, 97%CHEBI:151092CS-W008013HY-W008013AB08653AC-224447-formyl indole

Datenbank-Bezeichner

CAS: 1074-88-0
PubChem CID: 2734629
DTXSID: DTXSID50370407
ChEBI: CHEBI:151092
EC Number: 626-959-0
Nikkaji: J1.795.865H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 32,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 158

Physikochemische Eigenschaften

Schmelzpunkt: 87 · 87-91 °C (lit.)
Siedepunkt: 339.1 · 339.1±15.0 °C(Predicted)
Dichte: 1.278 · 1.278±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Dichloromethane
Aggregatzustand: Solid
pka: 15.5 · 15.50±0.30(Predicted)
Farbe: Yellow Crystalline
Wasserlöslichkeit: insoluble
BRN: 1524960 · 1524960
InChI: InChI=1S/C9H7NO/c11-6-8-3-1-2-7-4-5-10-9(7)8/h1-6,10H
InChIKey: XQVZDADGTFJAFM-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2C=O)C=C1
CAS Datenbank: 1074 · 1074-88-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (88.9%)

Sicherheitsdaten

F: 10
wgk: 3
hs_code: 29339900
risk_code: 22-43
hazard_code: Xn
safety_code: 36/37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralSkin Sens. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

VerwendenIndole-7-carboxaldehyde is used in an efficient synthesis of fused pyrroloquinolinedicarboxylates from acetylenedicarboxylates and triphenylphosphine. 1.reactant for preparation of antiandrogens. 2.reactant for preparation of antiplatelet agent. 3.reactant for preparation of liver