Ethyl-4-hydroxy-2-methyl-2H-1,2-benzothiazin-3-carboxylat-1,1-dioxid
4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid ethylester 1,1-dioxide
Grundinformationen
- CAS
24683-26-9- Standard-SMILES
CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C- InChIKey
QWTNANUGXZEPFQ-UHFFFAOYSA-N- Summenformel
- C12H13NO5S
- Durchschnittliche Molmasse
- 283,3 g/mol
- Monoisotopische Masse
- 283,05144369
Namen und Bezeichner
- Bevorzugter Name
- 4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid ethylester 1,1-dioxide
- IUPAC
- ethyl 4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxylate
- Lokaler Name
- Ethyl-4-hydroxy-2-methyl-2H-1,2-benzothiazin-3-carboxylat-1,1-dioxid
- Englischer Name
- Ethyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide
- Summenformel
- C12H13NO5S
- Molmasse
- 283.3
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
24683-26-9- PubChem CID
- 54679348
- DTXSID
DTXSID30179415- ChEMBL
CHEMBL598364- UNII
- EAD64Z1YS1
- EC Number
- 246-403-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 92,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 19
- Formalladung
- 0
- Komplexität
- 505
Physikochemische Eigenschaften
- Schmelzpunkt
- 140 · 140-144 °C (lit.)
- Siedepunkt
- 448.1 · 448.1±55.0 °C(Predicted)
- Dichte
- 1.458 · 1.458±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Dichloromethane (Slightly), DMSO (Slightly), Methanol (Slightly)
- Aggregatzustand
- solid
- pka
- 4.5 · 4.50±1.00(Predicted)
- InChI
- 1S/C12H13NO5S/c1-3-18-12(15)10-11(14)8-6-4-5-7-9(8)19(16,17)13(10)2/h4-7,14H,3H2,1-2H3
- InChIKey
- QWTNANUGXZEPFQ-UHFFFAOYSA-N
- SMILES
- CCOC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
- CAS Datenbank
- 24683 · 24683-26-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H331 (89.4%): Toxic if inhaled [Danger Acute toxicity, inhalation]
P261, P271, P304+P340, P316, P321, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatorische Informationen
Sicherheitsdaten
- wgk
- 2
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 2934990002
- RTECS-Nr.
- DL0710425
- risk_code
- 23
- hazard_code
- T
- safety_code
- 45
- Speicherklasse
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- Acute Tox. 3 Inhalation
Chemie und Industrie
Anwendungen
VerwendenPiroxicam impurity K. Also an impurity found in meloxicam (M216100).
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