HuagongsheHuagongshe Chemistry Print Report · For research reference only
(2-Amino-4-(ethoxycarbonyl)phenyl)boronic acid hydrochloride
Ethyl 3-amino-4-boronobenzoate, HCl · 2-Amino-4-ethoxycarbonylphenylboronic acid, HCl · 2-amino-4-(ethoxycarbonyl)phenylboronic acid, HCl · 2-Amino-4-(ethoxycarbonyl)benzeneboronicacidhydrochloride95% · [2-aMino-4-(ethoxycarbonyl)phenyl]boronic acid hydrochloride · Benzoic acid,3-amino-4-borono-, 1-ethyl ester, hydrochloride (1:1)
Identifiers & Physical Properties
| CAS No. | 957034-59-2 |
|---|---|
| Molecular formula | C9H13BClNO4 |
| Average molar mass | 245.47 g/mol |
| Monoisotopic mass | 245.0626158 g/mol |
| SMILES | CCOC(=O)c1ccc(B(O)O)c(N)c1.Cl |
| InChIKey | YPJSJDLFBDCPQA-UHFFFAOYSA-N |
| PubChem CID | 44118564 |
| DTXSID | DTXSID60656885 |
Chemical & Physical Properties
| Topological polar surface area | 92.8 |
|---|---|
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 4 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 224 |
| Storage conditions | Sealed in dry,Room Temperature |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
| Customs code | 2931900090 |
Safety & Regulations
| Customs code | 2931900090 |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 |
Applications & Uses
Uses
2-Amino-4-ethoxycarbonylphenylboronic acid, HCl