7-bromo-5-chloro-1H-indole

HCID 24729504CAS 292636-08-9

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: Clc1cc(Br)c2[nH]ccc2c1
InChIKey: CBQDZTGRYHTJRO-UHFFFAOYSA-N
Summenformel: C8H5BrClN
Durchschnittliche Molmasse: 230,49 g/mol
Monoisotopische Masse: 228,92939

Namen und Bezeichner

Bevorzugter Name: 7-bromo-5-chloro-1H-indole
IUPAC: 7-bromo-5-chloro-1H-indole
Englischer Name: 7-Bromo-5-chloroindole
Summenformel: C8H5BrClN
Molmasse: 230.49

Namen und Synonyme

7-Bromo-5-chloro-1H-indole292636-08-9DTXSID00646826RefChem:310449DTXCID10597577852-354-87-Bromo-5-chloroindole1H-Indole, 7-bromo-5-chloro-MFCD09880061SCHEMBL1397681CS-D0780AKOS016002904

Weitere Namen anzeigen

7-Bromo-5-chloro-2H-indole

SB36415AC-25173AS-33244SY029986EN300-202955AMY7453FT-0647049DB-068086

Datenbank-Bezeichner

CAS: 292636-08-9
PubChem CID: 24729504
DTXSID: DTXSID00646826
EC Number: 852-354-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 15,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 0
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 153

Physikochemische Eigenschaften

Siedepunkt: 348.1 · 348.1±22.0 °C(Predicted)
Dichte: 1.772 · 1.772±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 14.42 · 14.42±0.30(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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, P305+P354+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 2 reports by companies from 2 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.