Grundinformationen
- CAS
50390-76-6- Standard-SMILES
COc1ccc(S(C)(=O)=O)cc1C(=O)O- InChIKey
BXWLVQXAFBWKSR-UHFFFAOYSA-N- Summenformel
- C9H10O5S
- Durchschnittliche Molmasse
- 230,24 g/mol
- Monoisotopische Masse
- 230,02489459
Namen und Bezeichner
- Bevorzugter Name
- 5-Mesyl-o-anisic acid
- IUPAC
- 2-methoxy-5-methylsulfonylbenzoic acid
- Lokaler Name
- 5-Mesyl-o-anissure
- Englischer Name
- 2-Methoxy-5-(methylsulfonyl)benzoic acid
- Summenformel
- C9H10O5S
- Molmasse
- 230.24
Namen und Synonyme
2-Methoxy-5-(methylsulfonyl)benzoic acid5-Mesyl-o-anisic acidBenzoic acid, 2-methoxy-5-(methylsulfonyl)-HL1OU1ENK7EINECS 256-573-4UNII-HL1OU1ENK75-methylsulfonyl-2-methoxybenzoic acidDTXSID801984396-METHOXY-3-METHYLSULFONYLBENZOIC ACIDTIAPRIDE HYDROCHLORIDE IMPURITY B [EP IMPURITY]TIAPRIDE HYDROCHLORIDE IMPURITY B (EP IMPURITY)RefChem:103013
Weitere Namen anzeigen
Tiapride Impurity 45-(Methylsulfonyl)-o-anisic acidTiapride Hydrochloride Impurity B2-Methoxy-5-MethylsulfonylbezoicAcidTiapride Hydrochloride EP Impurity B2-Methoxy-5-methy1 sulfonylbenzoic acid2-methoxyl-5-methysulfonyl benzoic acid2-METHOXY-5-METHYL SULFONYLBENZOIC ACID
DTXCID60120930256-573-450390-76-62-methoxy-5-methylsulfonylbenzoic acid5-methanesulfonyl-2-methoxybenzoic acidMFCD013175442-Methoxy-5-(methylsulphonyl)benzoic acidTiapride EP Impurity B
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 89,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 329
Physikochemische Eigenschaften
- Schmelzpunkt
- 190 °C · 190 °C
- Siedepunkt
- 467.9 · 467.9±45.0 °C(Predicted)
- Dichte
- 1.372 · 1.372±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Heated)
- Aggregatzustand
- Solid
- pka
- 3.49 · 3.49±0.10(Predicted)
- Farbe
- White to Off-White
- InChI
- InChI=1S/C9H10O5S/c1-14-8-4-3-6(15(2,12)13)5-7(8)9(10)11/h3-5H,1-2H3,(H,10,11)
- InChIKey
- BXWLVQXAFBWKSR-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C1=CC(S(C)(=O)=O)=CC=C1OC
- CAS Datenbank
- 50390 · 50390-76-6(CAS DataBase Reference)
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 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): 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 3 reports by companies from 3 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 (66.7%)；Skin Irrit. 2 (66.7%)；Eye Irrit. 2A (66.7%)；STOT SE 3 (66.7%)
Sicherheitsdaten
- hs_code
- 2918999090
- hazard_code
- Xi
- hazard_note
- Irritant
Chemie und Industrie
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter78 Anbieter
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
成都梓永智研生物科技有限公司17780686372 · [email protected]
Zugehörige Reaktionen
12
Notizen zur Verbindung
Wird geladen…