2-(Propylsulfanyl)benzoic acid
Grundinformationen
- CAS
21213-10-5- Standard-SMILES
CCCSc1ccccc1C(=O)O- InChIKey
MNTQKBRBPNZLPM-UHFFFAOYSA-N- Summenformel
- C10H12O2S
- Durchschnittliche Molmasse
- 196,27 g/mol
- Monoisotopische Masse
- 196,05580079
Namen und Bezeichner
- Bevorzugter Name
- 2-(Propylsulfanyl)benzoic acid
- IUPAC
- 2-propylsulfanylbenzoic acid
- Englischer Name
- 2-(Propylsulfanyl)benzoic acid
- Summenformel
- C10H12O2S
- Molmasse
- 196.27
Namen und Synonyme
2-(propylsulfanyl)benzoic acidRefChem:462061960-297-62-(propylthio)benzoic acid21213-10-52-propylsulfanylbenzoic acidbenzoic acid, 2-(propylthio)-MFCD027292292-(n-Propylthio)benzoic acidNSC1009392-propylthiobenzoic acid2-(propylthio)benzoicacid
Weitere Namen anzeigen
S-propyl thiosalicylic acidNCIOpen2_001717SCHEMBL6779779DTXSID90295281MNTQKBRBPNZLPM-UHFFFAOYSA-NALBB-009435BBL000368STK288480
Datenbank-Bezeichner
- CAS
21213-10-5- PubChem CID
- 265125
- DTXSID
DTXSID90295281- EC Number
- 960-297-6
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 62,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 170
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
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]；H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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. 3 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)
Sicherheitsdaten
- hs_code
- 2930909899
Chemie und Industrie
Anbieter5 Anbieter
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Zugehörige Reaktionen
2
Notizen zur Verbindung
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