Grundinformationen
- Standard-SMILES
O=S(=O)(O)c1cccnc1- InChIKey
DVECLMOWYVDJRM-UHFFFAOYSA-N- Summenformel
- C5H5NO3S
- Durchschnittliche Molmasse
- 159,17 g/mol
- Monoisotopische Masse
- 158,99901402
Namen und Bezeichner
- Bevorzugter Name
- 3-Pyridinesulfonic acid
- IUPAC
- pyridine-3-sulfonic acid
Namen und Synonyme
3-Pyridinesulfonic acidpyridine-3-sulfonic acid636-73-7Pyridine-3-sulphonic acid3-Pyridine sulfonic acidC5H5NO3S3-Pyridylsulfonic acid3-Sulfopyridinebeta-SulfopyridineMFCD00006381Ethyl 3-[(Tetrahydropyranyl)oxy]butanoate104372-23-8
Weitere Namen anzeigen
pyridine, 3-sulpho-EINECS 211-265-9BRN 0120822AI3-524183-[(Tetrahydro-2H-pyran-2-yl)oxy]-butanoic Acid Ethyl Ester; Ethyl 3-((Tetrahydro-2H-pyran-2-yl)oxy)butanoateVXHpyridine-3-sulfonicacidVonoprazan Impurity 11
Datenbank-Bezeichner
- CAS
636-73-7- PubChem CID
- 69468
- DTXSID
DTXSID60212980- ChEMBL
CHEMBL4438353- UNII
- Z6HTY55U4L
- EC Number
- 211-265-9
- Nikkaji
- J205.910J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,4
- Polarare Oberfläche (TPSA)
- 75,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 10
- Formalladung
- 0
- Komplexität
- 193
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Pyridines
Physical DescriptionWhite or yellow crystalline powder; [Alfa Aesar MSDS]
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H314 (51%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 149 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 3-Pyridinesulfonic acid
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 14-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34314
Pyridine-3-sulphonic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Corr. 1B (51%)
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information3-Pyridinesulfonic acid: ACTIVE
Zugehörige Reaktionen
49
Verknüpfte Notizen
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