Thieno[3,2-c]pyridine-2-carboxylic acid
Grundinformationen
- CAS
86236-37-5- Standard-SMILES
O=C(O)c1cc2cnccc2s1- InChIKey
VKOINCMQZKBKHH-UHFFFAOYSA-N- Summenformel
- C8H5NO2S
- Durchschnittliche Molmasse
- 179,2 g/mol
- Monoisotopische Masse
- 179,00409958
Namen und Bezeichner
- Bevorzugter Name
- Thieno[3,2-c]pyridine-2-carboxylic acid
- IUPAC
- thieno[3,2-c]pyridine-2-carboxylic acid
- Englischer Name
- Thieno[3,2-c]pyridine-2-carboxylic acid
- Summenformel
- C8H5NO2S
- Molmasse
- 179.2
Namen und Synonyme
THIENO[3,2-C]PYRIDINE-2-CARBOXYLIC ACID86236-37-5DTXSID70544264Thieno(3,2-c)pyridine-2-carboxylic acidRefChem:385028DTXCID10495049835-662-7MFCD16658570SCHEMBL844056VKOINCMQZKBKHH-UHFFFAOYSA-NLDA23637AKOS022640229
Weitere Namen anzeigen
Thieno[32-c]pyridine-2-carboxylic acidAS-41637SY077817DB-353131CS-0082386THIENO[3,2-C]PYRIDINE-2-CARBOXYLICACIDEN300-2081724F331511
Datenbank-Bezeichner
- CAS
86236-37-5- PubChem CID
- 13580293
- DTXSID
DTXSID70544264- EC Number
- 835-662-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 78,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 197
Physikochemische Eigenschaften
- Siedepunkt
- 418.3 · 418.3±25.0 °C(Predicted)
- Dichte
- 1.508 · 1.508±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 2.48 · 2.48±0.30(Predicted)
- InChI
- InChI=1S/C8H5NO2S/c10-8(11)7-3-5-4-9-2-1-6(5)12-7/h1-4H,(H,10,11)
- InChIKey
- VKOINCMQZKBKHH-UHFFFAOYSA-N
- SMILES
- C1=NC=CC2SC(C(O)=O)=CC1=2
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (50%): 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)
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.；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
Hazard Classes and CategoriesAcute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
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