4-Bromo-7-fluoroindole

HCID 3822541

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Grundinformationen

CAS: 883500-66-1
Standard-SMILES: Fc1ccc(Br)c2cc[nH]c12
InChIKey: PBQKMEMSAFAVKF-UHFFFAOYSA-N
Summenformel: C8H5BrFN
Durchschnittliche Molmasse: 214,03 g/mol
Monoisotopische Masse: 212,95894

Namen und Bezeichner

Bevorzugter Name: 4-Bromo-7-fluoroindole
IUPAC: 4-bromo-7-fluoro-1H-indole
Englischer Name: 4-Bromo-7-fluoroindole
Summenformel: C8H5BrFN
Molmasse: 214.03

Namen und Synonyme

4-Bromo-7-fluoroindole883500-66-1DTXSID20396896RefChem:291004DTXCID50347755691-952-14-bromo-7-fluoro-1H-indoleMFCD030953181H-Indole, 4-bromo-7-fluoro-1H-INDOLE,4-BROMO-7-FLUOROSCHEMBL265955SCHEMBL20876030

Weitere Namen anzeigen

SCHEMBL31146936PBQKMEMSAFAVKF-UHFFFAOYSA-NSBB094885AKOS007930910CS-W008483PS-6787SB13949SY029539

Datenbank-Bezeichner

CAS: 883500-66-1
PubChem CID: 3822541
DTXSID: DTXSID20396896
EC Number: 691-952-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 15,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 153

Physikochemische Eigenschaften

Schmelzpunkt: 24 · 24-25℃
Siedepunkt: 314.2 · 314.2±22.0 °C(Predicted)
Dichte: 1.75 · 1.750±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
Löslichkeit: Sparingly Soluble (0.28 g/L) (25°C)
pka: 14.62 · 14.62±0.30(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): 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, 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 6 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.