HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12349191Generated: October 27, 2026
Methyl 2-bromopyridine-3-carboxylate
METHYL 2-BROMOPYRIDINE-3-CARBOXYLATE · methyl 2-bromonicotinate · Methyl2-Bromonicotinate>Methyl 2-bromopyridin-3-carboxylate · Methyl 2-broMo-3-pyridinecarboxylate · Methyl 2-bromopyridine-3-carboxylate, 96% · 2-Bromopyridine-3-carboxylic Acid Methyl Ester · 2-BROMO-3-PYRIDINECARBOXYLIC ACID METHYL ESTER · 3-pyridinecarboxylic acid, 2-bromo-, methyl ester
https://huagongshe.com/en/chemical/12349191
Identifiers & Physical Properties
| CAS No. | 52718-95-3 |
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| Molecular formula | C7H6BrNO2 |
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| Average molar mass | 216.03 g/mol |
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| Monoisotopic mass | 214.95819053 g/mol |
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| SMILES | COC(=O)c1cccnc1Br |
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| InChIKey | RAFFKXWNTXTTFO-UHFFFAOYSA-N |
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| PubChem CID | 12349191 |
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| EC No. | 801-154-9 |
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| DTXSID | DTXSID70493142 |
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Chemical & Physical Properties
| XLogP | 1.7 |
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| Topological polar surface area | 39.2 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 11 |
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| Formal charge | 0 |
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| Complexity | 151 |
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| Melting point | 32-37°C |
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| Boiling point | 95-97 °C(Press: 1.4 Torr) |
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| Density | 1.579±0.06 g/cm3(Predicted) |
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| Storage conditions | Inert atmosphere,Room Temperature |
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| Physical state | powder to lump to clear liquid |
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| pKa (acidity coefficient) | -1.25±0.10(Predicted) |
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| Color | White or Colorles to Yellow to Orange |
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| InChI | 1S/C7H6BrNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3 |
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| InChIKey | RAFFKXWNTXTTFO-UHFFFAOYSA-N |
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| SMILES | COC(=O)c1cccnc1Br |
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| CAS DataBase Reference | 52718-95-3 |
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| UNSPSC Code | 12352100 |
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| NACRES | NA.22 |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P302+P352-P305+P351+P338-P362+P364 |
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| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
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| Water hazard class (WGK) | 3 |
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| Customs code | 2933399990 |
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| Storage class | 13 - Non Combustible Solids |
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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)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
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| Water hazard class (WGK) | 3 |
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| Customs code | 2933399990 |
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| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| Storage class | 13 - Non Combustible Solids |
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| GHS hazard statements | H315-H319-H335 |
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| GHS precautionary statements | P302+P352-P305+P351+P338-P362+P364 |
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