4-Pyridineacetic acid hydrochloride

HCID 81097CAS 6622-91-9

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Grundinformationen

Standard-SMILES: Cl.O=C(O)Cc1ccncc1
InChIKey: WKJRYVOTVRPAFN-UHFFFAOYSA-N
Summenformel: C7H8ClNO2
Durchschnittliche Molmasse: 173,6 g/mol
Monoisotopische Masse: 173,02435618

Namen und Bezeichner

Bevorzugter Name: 4-Pyridineacetic acid hydrochloride
IUPAC: 2-pyridin-4-ylacetic acid;hydrochloride

Namen und Synonyme

6622-91-94-Pyridineacetic acid hydrochloride4-Pyridylacetic acid hydrochloride2-(pyridin-4-yl)acetic acid hydrochloride4-Carboxymethylpyridinium chloride4-Pyridineacetic acid, hydrochlorideB0SXW80JZMpyridin-4-ylacetic acid hydrochlorideDTXSID50216417EINECS 229-576-3NSC-53284NSC 53284

Weitere Namen anzeigen

4-PYRIDINEACETIC ACID, HYDROCHLORIDE (1:1)RefChem:526613DTXCID50138908229-576-3MFCD000128272-pyridin-4-ylacetic acid;hydrochloride4-PYRIDINEACETIC ACID HCLAKOS009140643

Datenbank-Bezeichner

CAS: 6622-91-9
PubChem CID: 81097
DTXSID: DTXSID50216417
UNII: B0SXW80JZM
EC Number: 229-576-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 50,2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 119

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.