4-fluoro-2-methyl-1H-indol-5-ol

HCID 10352036

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Grundinformationen

CAS: 288385-88-6
Standard-SMILES: Cc1cc2c(F)c(O)ccc2[nH]1
InChIKey: UMWRMOYYUHIPDT-UHFFFAOYSA-N
Summenformel: C9H8FNO
Durchschnittliche Molmasse: 165,16 g/mol
Monoisotopische Masse: 165,0589921

Namen und Bezeichner

Bevorzugter Name: 4-fluoro-2-methyl-1H-indol-5-ol
IUPAC: 4-fluoro-2-methyl-1H-indol-5-ol
Englischer Name: 4-Fluoro-5-hydroxy-2-methylindole
Summenformel: C9H8FNO
Molmasse: 165.16

Namen und Synonyme

288385-88-64-fluoro-2-methyl-1H-indol-5-olRefChem:523117608-263-94-Fluoro-5-hydroxy-2-methylindole1H-INDOL-5-OL, 4-FLUORO-2-METHYL-MFCD07368140SCHEMBL2960244-fluoro-5-hydroxy-2methylindoleDTXSID00438485CS-B0662BCP05449

Weitere Namen anzeigen

CEDI-0064-FLUORO-5-HYDROXY-2-ME4-Fluoro-5-hydroxy-2-methylindol2-Methyl-4-fluoro-5-hydroxyindole4-Fluoro-5-hydroxy-2-methylindoleor4-Fluoro-5-hydroxy-2-methyl-1H-indoleCediranib 4-Fluoro 5-Hydroxy 2-Methylindole

4-Fluoro-2-methyl-1H indol-5-ol4-Fluoro-2-methyl-1H iorb3144171SCHEMBL2535316TYD-03510AKOS006284808AC-1881FS-2399

Datenbank-Bezeichner

CAS: 288385-88-6
PubChem CID: 10352036
DTXSID: DTXSID00438485
EC Number: 608-263-9
Nikkaji: J2.958.693D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,2
Polarare Oberfläche (TPSA): 36 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 176

Physikochemische Eigenschaften

Siedepunkt: 327.3 · 327.3±37.0 °C(Predicted)
Dichte: 1.367 · 1.367
storage temp.: 2 · 2-8°C(protect from light)
Aggregatzustand: solid
pka: 7.39 · 7.39±0.50(Predicted)
InChI: InChI=1S/C9H8FNO/c1-5-4-6-7(11-5)2-3-8(12)9(6)10/h2-4,11-12H,1H3
InChIKey: UMWRMOYYUHIPDT-UHFFFAOYSA-N
SMILES: N1C2=C(C(F)=C(O)C=C2)C=C1C
CAS Datenbank: 288385 · 288385-88-6(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.3% (1 of 44) of reports.

Warning

H302+H312 (86.4%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (95.5%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933998090
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Fluoro-5-hydroxy-2-methylindole is used as a pharmaceutical intermediate. It condenses with chloroquinazoline (IX) in hot DMF in the presence of K2CO3 to yield cediranib. Cediranib is a potent, orally administered inhibitor of vascular endothelial growth factor (VEGF) receptors 1, 2 and 3, which blocks tumour angiogenesis and is being investigated in clinical trials for ovarian and brain cancers.