6-Chlor-1H-indol

6-Chloroindole

HCID 87111CAS 17422-33-2

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Grundinformationen

Standard-SMILES: Clc1ccc2cc[nH]c2c1
InChIKey: YTYIMDRWPTUAHP-UHFFFAOYSA-N
Summenformel: C8H6ClN
Durchschnittliche Molmasse: 151,59 g/mol
Monoisotopische Masse: 151,0188769

Namen und Bezeichner

Bevorzugter Name: 6-Chloroindole
IUPAC: 6-chloro-1H-indole
Lokaler Name: 6-Chlor-1H-indol
Englischer Name: 6-Chloroindole
Summenformel: C8H6ClN
Molmasse: 151.59

Namen und Synonyme

6-Chloroindole6-Chloro-1H-indole17422-33-2NSC-58083M4E7MR63DADTXSID70169794RefChem:104438DTXCID6092285241-449-41H-Indole, 6-chloro-MFCD00005681CHEMBL511085

Weitere Namen anzeigen

NSC 580836-Chloroindole >TIMTEC-BB SBB0040596-Chloroindole, 97+%1H-Indole,6-chloro-(9CI)6-chloroindole 17422-32-26-Chloroindole in stock Factory

6-chloro indole6-chloro-indoleNSC58083EINECS 241-449-46-chlor-1H-indoleIndole, 6-chloro-6-chloro-1-H-indole6-Chloroindole, 99%

Datenbank-Bezeichner

CAS: 17422-33-2
PubChem CID: 87111
DTXSID: DTXSID70169794
ChEMBL: CHEMBL511085
ChEBI: CHEBI:80918
UNII: M4E7MR63DA
EC Number: 241-449-4
Nikkaji: J236.659B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
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: 87 · 87-90 °C (lit.)
Siedepunkt: 248.91 °C · 248.91°C (rough estimate)
Dichte: 1.1976 · 1.1976 (rough estimate)
Brechungsindex: 1.5437 · 1.5437 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: slightly soluble
Aggregatzustand: Crystalline Powder
pka: 16.1 · 16.10±0.30(Predicted)
Farbe: Beige
Wasserlöslichkeit: slightly soluble
BRN: 112345 · 112345
Stabilität: Store in Refrigerator
InChI: InChI=1S/C8H6ClN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
InChIKey: YTYIMDRWPTUAHP-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(Cl)=C2)C=C1
CAS Datenbank: 17422 · 17422-33-2(CAS DataBase Reference)
NIST chemische Informationen: 6 · 6-Chloroindole(17422-33-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (90%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.