5-Iodo-1H-indole

HCID 2782313CAS 16066-91-4

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Grundinformationen

Standard-SMILES: Ic1ccc2[nH]ccc2c1
InChIKey: TVQLYTUWUQMGMP-UHFFFAOYSA-N
Summenformel: C8H6IN
Durchschnittliche Molmasse: 243,04 g/mol
Monoisotopische Masse: 242,95449719

Namen und Bezeichner

Bevorzugter Name: 5-Iodo-1H-indole
IUPAC: 5-iodo-1H-indole
Englischer Name: 5-Iodoindole
Summenformel: C8H6IN
Molmasse: 243.04

Namen und Synonyme

5-iodo-1H-indoleRefChem:536313628-024-25-Iodoindole16066-91-41H-Indole, 5-iodo-MFCD002200655-Iodoindole, 97%Maybridge1_006499SCHEMBL177313SCHEMBL1399575HMS559P09

Weitere Namen anzeigen

5-Indoindole5-Iodoindole 97%5-Iodo-1H-indole97%5-Iodo-1H-indole 97%5-Iodo-1H-indole, 95+%

DTXSID60382031SBB054565AKOS015853662AB04939CCG-247892CS-W004099FI02236PS-7545

Datenbank-Bezeichner

CAS: 16066-91-4
PubChem CID: 2782313
DTXSID: DTXSID60382031
EC Number: 628-024-2
Nikkaji: J699.142D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
Polarare Oberfläche (TPSA): 15,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 126

Physikochemische Eigenschaften

Schmelzpunkt: 101 · 101-104 °C (lit.)
Siedepunkt: 341.7 · 341.7±15.0 °C(Predicted)
Dichte: 1.96 · 1.960±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 16.14 · 16.14±0.30(Predicted)
Aggregatzustand: Solid or Crystalline Solid
Farbe: White to pale brown
InChI: InChI=1S/C8H6IN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKey: TVQLYTUWUQMGMP-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(I)C=C2)C=C1
CAS Datenbank: 16066 · 16066-91-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden5-Iodoindole is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field. It is used as the starting material in the synthesis of 5-(α-fluorovinyl)-N-tosylindole.