5-(Hydroxymethyl)furan-2-carbonitrile

HCID 3021406

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Grundinformationen

CAS: 89149-70-2
Standard-SMILES: N#Cc1ccc(CO)o1
InChIKey: XAOLIZQQNMUXQB-UHFFFAOYSA-N
Summenformel: C6H5NO2
Durchschnittliche Molmasse: 123,11 g/mol
Monoisotopische Masse: 123,0320284

Namen und Bezeichner

Bevorzugter Name: 5-(Hydroxymethyl)furan-2-carbonitrile
IUPAC: 5-(hydroxymethyl)furan-2-carbonitrile
Englischer Name: 5-(Hydroxymethyl)furan-2-carbonitrile
Summenformel: C6H5NO2
Molmasse: 123.11

Namen und Synonyme

5-(Hydroxymethyl)furan-2-carbonitrile89149-70-2EINECS 289-476-05-(HYDROXYMETHYL)-2-FURANCARBONITRILEDTXSID30237549RefChem:531304DTXCID30160040289-476-05-hydroxymethyl-2-furancarbonitrile2-Furancarbonitrile,5-(hydroxymethyl)-5-hydroxymethyl-furan-2-carbonitrileFE3Y5F8RJW

Weitere Namen anzeigen

5-Hydroxymethyl-2-cyanofuranSCHEMBL2359472PDA149705-Hydoxymethylfuran-2-carbononitrileAKOS006285518AB440382-Furancarbonitrile, 5-(hydroxymethyl)-DB-078308

Datenbank-Bezeichner

CAS: 89149-70-2
PubChem CID: 3021406
DTXSID: DTXSID30237549
UNII: FE3Y5F8RJW
EC Number: 289-476-0
Nikkaji: J348.574I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 57,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 137

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.