1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile

HCID 9856159CAS 64169-67-1

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Grundinformationen

Standard-SMILES: N#Cc1ccc2c(c1)COC2c1ccc(F)cc1
InChIKey: YXCRMKYHFFMNPT-UHFFFAOYSA-N
Summenformel: C15H10FNO
Durchschnittliche Molmasse: 239,24 g/mol
Monoisotopische Masse: 239,07464216

Namen und Bezeichner

Bevorzugter Name: 1-(4'-Fluorophenyl)-1,3-DihydroIsobenzofuran-5-Carbonitrile
IUPAC: 1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
Englischer Name: 1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile
Summenformel: C15H10FNO
Molmasse: 239.24

Namen und Synonyme

1-(4-Fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile1-(4'-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrileRefChem:424141613-489-664169-67-11-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile1-(4-fluorophenyl)-1,3-dihydro-isobenzofuran-5-CarbonitrileMFCD06200812rac-1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile5-Cyano-1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-

Weitere Namen anzeigen

LU 17-046Citalopram Benzofuran analog1-(4-Fluorophenyl)-5-cyanophthalan1-(4-fluorophenyl)-5-phthalane Carbonitr1-(4-Fluorophenyl)-1,3-dihydroisobenzofurane-5-cyano5-Cyano-1- (4-fluorophenyl) -1,2-dihydroisobenzofuran1-(4-Fluorophenyl)-1,3-dihyrosobenzofuran-5-carbonitrile

1-(4-Fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile; 1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile; 1-(4-Fluorophenyl)-5-cyanophthalan; 5-Cyano-1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran; LU 17-0461-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitileSCHEMBL16864E76TM8TMX1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitileDTXSID70431862YXCRMKYHFFMNPT-UHFFFAOYSA-NAKOS005065533

Datenbank-Bezeichner

CAS: 64169-67-1
PubChem CID: 9856159
DTXSID: DTXSID70431862
UNII: 4E76TM8TMX
EC Number: 613-489-6
Nikkaji: J1.797.868C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,7
Polarare Oberfläche (TPSA): 33 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 18
Formalladung: 0
Komplexität: 342

Physikochemische Eigenschaften

Schmelzpunkt: 95 · 95-97°C
Siedepunkt: 375 °C · 375°C
Dichte: 1.29 · 1.29
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
Löslichkeit: Chloroform (Slightly), Dichloromethane, Methanol (Slightly, Sonicated)
Aggregatzustand: Solid
Farbe: White to Light Yellow
CAS Datenbank: 64169 · 64169-67-1(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302+H312+H332 (33.3%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.