HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Bromo-3-methylpyridine
4-Bromo-5-methylpyridine · 4-Bromo-3-methylpyridine HCl · 4-BROMO-3-PICOLINE · CHEMBRDG-BB 4014100 · 4-bromo-3-picoline HCI · 4-BROMO-3-METHYLPYRIDINE · Pyridine,4-bromo-3-methyl- · 4-Bromo-3-methylpyridine HCl 4-Bromo-3-methylpyridine HCl salt
Identifiers & Physical Properties
| CAS No. | 10168-00-0 |
|---|---|
| Molecular formula | C6H6BrN |
| Average molar mass | 172.02 g/mol |
| Monoisotopic mass | 170.96836129 g/mol |
| SMILES | Cc1cnccc1Br |
| InChIKey | GYUAOSJIGMDMNJ-UHFFFAOYSA-N |
| PubChem CID | 428351 |
| EC No. | 818-271-6 |
| DTXSID | DTXSID60330259 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 12.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 74.9 |
| Boiling point | 211 ºC |
| Density | 1.494 |
| Flash point | 82 ºC |
| Storage conditions | Keep Cold |
| pKa (acidity coefficient) | 3.58±0.10(Predicted) |
| InChI | InChI=1S/C6H6BrN/c1-5-4-8-3-2-6(5)7/h2-4H,1H3 |
| InChIKey | GYUAOSJIGMDMNJ-UHFFFAOYSA-N |
| SMILES | C1=NC=CC(Br)=C1C |
| CAS DataBase Reference | 10168-00-0(CAS DataBase Reference) |
| GHS pictogram | GHS07,GHS05 |
| Signal word | Danger |
| GHS hazard statements | H302-H318-H315-H335 |
| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501 |
| Hazard symbols | Xi |
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Signal word | Danger |
| GHS pictogram | GHS07,GHS05 |
| Hazard symbols | Xi |
| GHS hazard statements | H302-H318-H315-H335 |
| GHS precautionary statements | P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501 |
Applications & Uses
Uses
4-Bromo-3-methylpyridine can be used in organic synthetic materials. Its derivatives are also used as antimicrobial compounds.