HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 97036Erstellt: 2. November 2026
[R(R*,R*)]-2,3-bis[(4-methylbenzoyl)oxy]succinic acid
Tofacitinib Impurity 165 · D/L-Di-p-toluoyl-tartaricacid
https://huagongshe.com/de/chemical/97036
Identifikatoren & physikalische Daten
| CAS No. | 1039646-91-7 |
|---|
| Summenformel | C20H18O8 |
|---|
| Durchschnittliche Molmasse | 386,4 g/mol |
|---|
| Monoisotopische Masse | 386,10016754 g/mol |
|---|
| SMILES | Cc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(C)cc2)C(=O)O)cc1 |
|---|
| InChIKey | CMIBUZBMZCBCAT-UHFFFAOYSA-N |
|---|
| PubChem CID | 97036 |
|---|
| ChEMBL | CHEMBL1885843 |
|---|
| EC No. | 251-131-7 |
|---|
| DTXSID | DTXSID90909134 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|
| Polarare Oberfläche (TPSA) | 127 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 8 |
|---|
| Frei drehbare Bindungen | 9 |
|---|
| Schwere Atome | 28 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 533 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 25% (6 of 24) of reports.WarningH315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 24 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Regulatorische Informationen | Status: Active Update: 01-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/18038 |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (25%) |
|---|
![Molekülstruktur von [R(R*,R*)]-2,3-bis[(4-methylbenzoyl)oxy]succinic acid](/img/chemical/97036.png)