5-Propylthiophene-2-carboxylic acid
Grundinformationen
- CAS
63068-73-5- Standard-SMILES
CCCc1ccc(C(=O)O)s1- InChIKey
GIKRNWSWBGWABK-UHFFFAOYSA-N- Summenformel
- C8H10O2S
- Durchschnittliche Molmasse
- 170,23 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 5-Propylthiophene-2-carboxylic acid
- IUPAC
- 5-propylthiophene-2-carboxylic acid
- Englischer Name
- 5-Propyl-thiophene-2-carboxylic acid
- Summenformel
- C8H10O2S
- Molmasse
- 170.23
Namen und Synonyme
5-propylthiophene-2-carboxylic acid63068-73-5RefChem:537779964-952-75-Propyl-thiophene-2-carboxylic acid5-propyl-2-thiophenecarboxylic acidMFCD04970762SCHEMBL262537GIKRNWSWBGWABK-UHFFFAOYSA-N5-propylthiophene-2-carboxylicacidHMS1698E14NCA06873
Weitere Namen anzeigen
AKOS B021709ART-CHEM-BB B021709TIMTEC-BB SBB009571ASINEX-REAG BAS 131342592-Thiophenecarboxylic acid, 5-propyl-
SBB009571STK349784AKOS000310775AT164155-n-Propyl-thiophene-2-carboxylic acidNCGC00319477-01DB-341001CS-0196015
Datenbank-Bezeichner
- CAS
63068-73-5- PubChem CID
- 3164314
- EC Number
- 964-952-7
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 65,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 147
Physikochemische Eigenschaften
- storage temp.
- Store at Room Tem.
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemie und Industrie
Anwendungen
Verwenden5-Propylthiophene-2-carboxylic Acid is a reagent used in the preparation of novel S1P1 receptor agonists useful in lymphatic transport, an important route of absorption.
Anbieter10 Anbieter
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