Grundinformationen
- Standard-SMILES
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1- InChIKey
HZJZEEWZSYAYKT-UHFFFAOYSA-N- Summenformel
- C14H13NO5S
- Durchschnittliche Molmasse
- 307,32 g/mol
- Monoisotopische Masse
- 307,05144369
Namen und Bezeichner
- Bevorzugter Name
- 4-((2-Methoxyphenyl)sulfamoyl)benzoic acid
- IUPAC
- 4-[(2-methoxyphenyl)sulfamoyl]benzoic acid
Namen und Synonyme
4-[(2-methoxyphenyl)sulfamoyl]benzoic Acid169945-27-14-((2-Methoxyphenyl)sulfamoyl)benzoic acidRefChem:509061101-484-74-(2-Methoxy-phenylsulfamoyl)-benzoic acidOprea1_579377SCHEMBL8711266HZJZEEWZSYAYKT-UHFFFAOYSA-NAKOS0001150384-[(2-methoxyphenyl)sulfamoyl]benzoicAcid4-[(2-Methoxyanilino)sulfonyl]benzoic acid
Weitere Namen anzeigen
CS-0218261EN300-00476G33821Z45630940
Datenbank-Bezeichner
- CAS
169945-27-1- PubChem CID
- 2333505
- EC Number
- 101-484-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 101 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 450
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；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, 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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Zugehörige Reaktionen
4
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