CAS 22282-72-0 2-Hydroxyisonicotinic Acid (HCID 280756)

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Grundinformationen

CAS: 22282-72-0
Standard-SMILES: O=C(O)c1cc[nH]c(=O)c1
InChIKey: BXHCJLRTXPHUGH-UHFFFAOYSA-N
Summenformel: C6H5NO3
Durchschnittliche Molmasse: 139,11 g/mol
Monoisotopische Masse: 139,02694302

Namen und Bezeichner

Bevorzugter Name: 2-Hydroxyisonicotinic Acid
IUPAC: 2-oxo-1H-pyridine-4-carboxylic acid
Englischer Name: 2-Hydroxyisonicotinic acid
Summenformel: C6H5NO3
Molmasse: 139.11

Namen und Synonyme

2-Hydroxyisonicotinic acidRefChem:473460835-024-8947-323-122282-72-02-oxo-1,2-dihydropyridine-4-carboxylic acid2-Hydroxy-4-pyridinecarboxylic acid2-HYDROXYPYRIDINE-4-CARBOXYLIC ACID2-Hydroxy-isonicotinic acid2-oxo-1H-pyridine-4-carboxylic acidMFCD013185664-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-

Weitere Namen anzeigen

RARECHEM AL BO 22912-Hydroxyisonicotini2-Hydroxyisonicotinicaci4-CARBOXY-2(1H)-PYRIDINONE2-Hydroxyisonicotinic acid?New2-HYDROXY-ISONICOTINIC ACID 98%

NSC1328882-Hydroxyisonicitonic AcidAKOS000732735HY-W002765NSC-1328882-Hydroxyisonicotinic acid, AldrichCPRTS-01796Z1416200909

Datenbank-Bezeichner

CAS: 22282-72-0
PubChem CID: 280756
DTXSID: DTXSID70944942
EC Number: 835-024-8、947-323-1
Nikkaji: J2.088.138K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,5
Polarare Oberfläche (TPSA): 66,4 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 239

Physikochemische Eigenschaften

Schmelzpunkt: 300 · 300
Siedepunkt: 384 · 384.0±42.0 °C(Predicted)
Dichte: 1.451 · 1.451±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Solid
pka: 2 · 2+-.0.20(Predicted)
Farbe: White to Orange to Green
InChI: InChI=1S/C6H5NO3/c8-5-3-4(6(9)10)1-2-7-5/h1-3H,(H,7,8)(H,9,10)
InChIKey: BXHCJLRTXPHUGH-UHFFFAOYSA-N
SMILES: C1(=O)NC=CC(C(O)=O)=C1
CAS Datenbank: 22282 · 22282-72-0(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 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)

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

Warning

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

Gefahrenhinweise

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (100%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2933399990
hazard_code: Xi
hazard_note: Irritant/Keep Cold
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

VerwendenUsed in the synthesis of selective inhibitors of neuropeptide Y Y5 inhibiting food intake. Also used in the optimization of p-subsite residues of HIV protease inhibitors.