2-Bromo-6-methylpyridine
2-BROMO-6-PICOLINE · 2-Bromo-6-methyL · 6-BROMO-2-PICOLINE · 6-Bromo-2-picoline,97% · 2-Brom-6-methylpyridin · 2-Bromo-6-methylpyrdine · 2-BROMO-6-METHYLPYRIDINE · 2-bormo-6-methylpyridine
Identifiers & Physical Properties
| CAS No. | 5315-25-3 |
|---|---|
| Molecular formula | C6H6BrN |
| Average molar mass | 172.02 g/mol |
| Monoisotopic mass | 170.96836129 g/mol |
| SMILES | Cc1cccc(Br)n1 |
| InChIKey | SOHDPICLICFSOP-UHFFFAOYSA-N |
| PubChem CID | 79205 |
| EC No. | 226-173-4 |
| DTXSID | DTXSID70201229 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| 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 | 102-103 °C/20 mmHg (lit.) |
| Density | 1.512 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.562(lit.) |
| Flash point | 207 °F |
| Storage conditions | Inert atmosphere,Room Temperature |
| Solubility | Chloroform, Ethyl AceateSoluble in chloroform, ethyl aceate. Not miscible or difficult to mix with water. |
| Physical state | Liquid |
| pKa (acidity coefficient) | 1.51±0.10(Predicted) |
| Specific gravity | 1.512 |
| Color | Clear colorless to yellow |
| BRN | 107322 |
| InChI | InChI=1S/C6H6BrN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3 |
| InChIKey | SOHDPICLICFSOP-UHFFFAOYSA-N |
| SMILES | C1(Br)=NC(C)=CC=C1 |
| CAS DataBase Reference | 5315-25-3(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29333990 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| GHS classification | WarningH302 (11.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 51 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (11.8%) |
| CSL Reaction Information | CSL000763-CHLOROPEROXYBENZOIC ACID + 2-BROMO-6-METHYLPYRIDINEexploded on the rotovap after work upExplosiveUser-Reported7/8/18 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| Customs code | 29333990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 10 - Combustible liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2-Bromo-6-methylpyridine may be used in the synthesis of the following:6,6′-dimethyl-2,2′-bipyridine6-methyl-2-pyridyl-2-pyridylmethanone2-methyl-6-(trimethylsilyl)-pyridineN,N′-bis-(6-methylpyrid-2-yl)-(1R,2R)-1,2- diaminocyclohexane (cydiampy)2-methyl-6-(trimethylstannanyl)pyridine2-(6-methylpyridin-2-yl)propan-2-olbis[(2-bromo-6-methylpyridinium)hexafluorosilicate] monohydrate
Uses
2-Bromo-6-methylpyridine is a halogenated pyridine derivative used is a building block in the preparation of nitrogen containing heterocyclic compounds.
General Description
2-Bromo-6-methylpyridine is a bromopyridine derivative. It is formed when 2-chloro-6-methylpyridine is heated with bromotrimethylsilane. Its synthesis from various methods have been reported.