6-hydroxy-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione

HCID 2759315

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Grundinformationen

CAS: 195986-91-5
Standard-SMILES: O=c1[nH]c2ccc(O)cc2c(=O)o1
InChIKey: JYDXUDOZEQAXBH-UHFFFAOYSA-N
Summenformel: C8H5NO4
Durchschnittliche Molmasse: 179,13 g/mol
Monoisotopische Masse: 179,02185764

Namen und Bezeichner

Bevorzugter Name: 6-hydroxy-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione
IUPAC: 6-hydroxy-1H-3,1-benzoxazine-2,4-dione
Englischer Name: 5-Hydroxy isatoic anhydride
Summenformel: C8H5NO4
Molmasse: 179.13

Namen und Synonyme

6-HYDROXY-2,4-DIHYDRO-1H-3,1-BENZOXAZINE-2,4-DIONERefChem:543359672-314-15-Hydroxy isatoic anhydride195986-91-56-hydroxy-1h-benzo[d][1,3]oxazine-2,4-dione5-hydroxyisatoic anhydride6-hydroxy-1H-3,1-benzoxazine-2,4-dioneMFCD007982016-hydroxy-1-H-benzo[d][1,3]oxazine-2,4-dione6-hydroxy-2h-3,1-benzoxazine-2,4(1h)-dione5-Hydroxyisatoicanhydride

Weitere Namen anzeigen

6-hydroxy-2H-benzo[d][1,3]oxazine-2,4(1H)-dione6-Hydroxyisatoic anhydride6-hydroxy-1,2-dihydro-4H-3,1-benzoxazin-2,4-dione3-Pyridinepropanoicacid,α-[[(1,1-dimethylethoxy)carbonyl]amino]-,(αS)-6-Hydroxy-2H-3,1-benzoxazine-2,4(1H)-dione, 6-Hydroxy-1H-benzo[d][1,3]oxazine-2,4-dione

2H-3,1-BENZOXAZINE-2,4(1H)-DIONE, 6-HYDROXY-SCHEMBL1668291DTXSID00374738JYDXUDOZEQAXBH-UHFFFAOYSA-NVHA98691SBB063925AKOS006344949AB07204

Datenbank-Bezeichner

CAS: 195986-91-5
PubChem CID: 2759315
DTXSID: DTXSID00374738
EC Number: 672-314-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 75,6 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 0
Schwere Atome: 13
Formalladung: 0
Komplexität: 253

Physikochemische Eigenschaften

Schmelzpunkt: 260 °C · >260 °C
Dichte: 1.56 · 1.560±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 8.82 · 8.82±0.20(Predicted)
Aggregatzustand: powder
Farbe: Faint beige to light grey to grey
CAS Datenbank: 195986 · 195986-91-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.