7-Fluoro-1H-indole

HCID 2774504CAS 387-44-0

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Grundinformationen

Standard-SMILES: Fc1cccc2cc[nH]c12
InChIKey: XONKJZDHGCMRRF-UHFFFAOYSA-N
Summenformel: C8H6FN
Durchschnittliche Molmasse: 135,14 g/mol
Monoisotopische Masse: 135,04842741

Namen und Bezeichner

Bevorzugter Name: 7-Fluoro-1H-indole
IUPAC: 7-fluoro-1H-indole
Englischer Name: 7-Fluoroindole
Summenformel: C8H6FN
Molmasse: 135.14

Namen und Synonyme

7-fluoro-1H-indole387-44-0RefChem:546399640-248-27-fluoroindoleMFCD01074502C8H6FNSCHEMBL446638CHEMBL6147011DTXSID60379062CS-W007613PS-9128

Weitere Namen anzeigen

uoro-1H-indoL7-Flouroindole7-ETHOXYINDOLE7-Fluoroindole>BUTTPARK 24\07-357-Fluoroindole,97%7-Fluoroindole,98%1H-Indole, 7-fluoro-

F05557-fluoro-indole7-fluoranyl-1H-indole7-Fluoroindoline-2-oneAMY3673A6536FT-0621412A824264

Datenbank-Bezeichner

CAS: 387-44-0
PubChem CID: 2774504
DTXSID: DTXSID60379062
ChEMBL: CHEMBL6147011
EC Number: 640-248-2
Nikkaji: J380.938B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 15,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 126

Physikochemische Eigenschaften

Schmelzpunkt: 61 °C · 61 °C
Siedepunkt: 258 · 258.0±13.0 °C(Predicted)
Dichte: 1.273 · 1.273±0.06 g/cm3(Predicted)
Flammpunkt: 110 ° · >110°
storage temp.: 2 · 2-8°C
Löslichkeit: Soluble in methanol. (almost transparency)
pka: 15.55 · 15.55±0.30(Predicted)
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Light orange
BRN: 114740 · 114740
InChI: InChI=1S/C8H6FN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
InChIKey: XONKJZDHGCMRRF-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2F)C=C1
CAS Datenbank: 387 · 387-44-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (61.9%): Harmful if swallowed [Warning Acute toxicity, oral]

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 63 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (61.9%)

Sicherheitsdaten

wgk: 3
hs_code: 29339900
risk_code: 36/37/38-41-37/38-22
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36-39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden7-Fluoroindole is a reagent used in chemical synthesis. It has been used to synthesize antiviral compounds against Pseudomonas aeruginosa and Staphylococcus aureus along with creation of immunomodulators. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs.