HuagongsheHuagongshe Chemistry Print Report · For research reference only
(6-Methoxypyridin-3-yl)boronic acid
(6-METHOXYPYRIDIN-3-YL)BORONIC ACID · 2-METHOXYPYRIDINE-5-BORONIC ACID · Sudan 455 · AKOS BRN-0148 · CAS:163105-89-3 · 2-Methoxy-5-pyridine · Perampanel Impurity ZY1 · 2-Methoxy-5-pyridine acid
Identifiers & Physical Properties
| CAS No. | 163105-89-3 |
|---|---|
| Molecular formula | C6H8BNO3 |
| Average molar mass | 152.95 g/mol |
| Monoisotopic mass | 153.05972352 g/mol |
| SMILES | COc1ccc(B(O)O)cn1 |
| InChIKey | DHADXDMPEUWEAS-UHFFFAOYSA-N |
| PubChem CID | 2734368 |
| ChEMBL | CHEMBL3236876 |
| EC No. | 672-299-1 |
| DTXSID | DTXSID80370258 |
Chemical & Physical Properties
| Topological polar surface area | 62.6 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 122 |
| Melting point | 135-140 °C(lit.) |
| Boiling point | 313.2±52.0 °C(Predicted) |
| Density | 1.24±0.1 g/cm3(Predicted) |
| Storage conditions | 2-8°C |
| pKa (acidity coefficient) | 7.26±0.10(Predicted) |
| Physical state | powder to crystal |
| Color | White to Almost white |
| Solubility | Soluble in water. |
| BRN | 9119950 |
| InChI | 1S/C6H8BNO3/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4,9-10H,1H3 |
| InChIKey | DHADXDMPEUWEAS-UHFFFAOYSA-N |
| SMILES | COc1ccc(cn1)B(O)O |
| CAS DataBase Reference | 163105-89-3(CAS DataBase Reference) |
| UNSPSC Code | 12352103 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Hazard symbols | Xn,Xi |
| Risk statements (R) | 36/37/38-22 |
| Safety statements (S) | 22-24/25-36/37/39-26-23 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Hazard class | IRRITANT, AIR SENSITIVE, KEEP COLD |
| Customs code | 29339900 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302 (18.2%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (18.2%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 3 |
| Customs code | 29339900 |
| Risk statements (R) | 36/37/38-22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,Xi |
| hazard_note | Irritant |
| Safety statements (S) | 22-24/25-36/37/39-26-23 |
| Hazard class | IRRITANT, AIR SENSITIVE, KEEP COLD |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
2-Methoxypyridine-5-boronic acid is used in cosmetics, coatings candles.