HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-[(3-Chlorophenyl)formamido]acetic acid
2-(3-Chlorobenzamido)acetic acid · TIMTEC-BB SBB004570 · Ixazomib Impurity 85 · m-Chlorohippuric acid · 3-Chloro Hippuric Acid · Glycine, N-(3-chlorobenzoyl)- · (3-Chloro-benzoylamino)-acetic acid · 2-[(3-CHLOROBENZOYL)AMINO]ACETIC ACID
![Molekülstruktur von 2-[(3-Chlorophenyl)formamido]acetic acid](/img/chemical/448.png)
Identifikatoren & physikalische Daten
| CAS No. | 57728-59-3 |
|---|---|
| Summenformel | C9H8ClNO3 |
| Durchschnittliche Molmasse | 213,62 g/mol |
| Monoisotopische Masse | 213,0192708 g/mol |
| SMILES | O=C(O)CNC(=O)c1cccc(Cl)c1 |
| InChIKey | ICYUIIJXZHPESK-UHFFFAOYSA-N |
| PubChem CID | 448 |
| ChEMBL | CHEMBL458724 |
| ChEBI | CHEBI:176504 |
| EC No. | 844-260-0 |
| DTXSID | DTXSID10274270 |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,4 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 232 |
| Physical Description | Solid |
| Schmelzpunkt | 144-147°C |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Gefahrensymbole | Xi |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
m-Chlorohippuric Acid is an N-benzoyl derivative with anticonvulsant and cardiotonic activity. m-Chlorohippuric Acid is a metabolite of Isoprophenamine and Ticlopidine (T438325).