HuagongsheHuagongshe Chemistry Print Report · For research reference only
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
![2-[(3-Chlorophenyl)formamido]acetic acid molecular structure](/img/chemical/448.png)
Identifiers & Physical Properties
| CAS No. | 57728-59-3 |
|---|---|
| Molecular formula | C9H8ClNO3 |
| Average molar mass | 213.62 g/mol |
| Monoisotopic mass | 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 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 66.4 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 232 |
| Physical Description | Solid |
| Melting point | 144-147°C |
| Storage conditions | Refrigerator |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| Color | White to Off-White |
| FDA UNII | MX3MEQ6BUN |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302 |
| GHS precautionary statements | P501-P270-P264-P301+P312+P330 |
| Hazard symbols | Xi |
| Hazard class | IRRITANT |
Safety & Regulations
| GHS classification | 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%) |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Hazard class | IRRITANT |
| GHS hazard statements | H302 |
| GHS precautionary statements | P501-P270-P264-P301+P312+P330 |
Applications & Uses
Uses
m-Chlorohippuric Acid is an N-benzoyl derivative with anticonvulsant and cardiotonic activity. m-Chlorohippuric Acid is a metabolite of Isoprophenamine and Ticlopidine (T438325).