HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Amino-5-bromo-4-methylpyridine
5-bromo-4-methylpyridin-2-amine · 2-Amino-5-bromo-4-methyL · 2-AMINO-5-BROMO-4-PICOLINE · 2-AMINO-5-BROMO-GAMMA-PICOLINE · 2-Amino-5-bromo-4-picoline,97% · 5-Bromo-4-methyl-2-pyridinamine · 2-AMINO-4-METHYL-5-BROMOPYRIDINE · 2-AMINO-5-BROMO-4-METHYLPYRIDINE
Identifiers & Physical Properties
| CAS No. | 98198-48-2 |
|---|---|
| Molecular formula | C6H7BrN2 |
| Average molar mass | 187.04 g/mol |
| Monoisotopic mass | 185.97926032 g/mol |
| SMILES | Cc1cc(N)ncc1Br |
| InChIKey | JDNCMHOKWINDKI-UHFFFAOYSA-N |
| PubChem CID | 817695 |
| EC No. | 628-174-9 |
| DTXSID | DTXSID30355838 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 38.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 97.1 |
| Melting point | 148-151 °C (lit.) |
| Boiling point | 254.2±35.0 °C(Predicted) |
| Density | 1.5672 (rough estimate) |
| Refractive index | 1.5500 (estimate) |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Solubility | Soluble in methanol. |
| pKa (acidity coefficient) | 5.27±0.24(Predicted) |
| Physical state | Powder |
| Color | Cream |
| InChI | InChI=1S/C6H7BrN2/c1-4-2-6(8)9-3-5(4)7/h2-3H,1H3,(H2,8,9) |
| InChIKey | JDNCMHOKWINDKI-UHFFFAOYSA-N |
| SMILES | C1(N)=NC=C(Br)C(C)=C1 |
| CAS DataBase Reference | 98198-48-2(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) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36-37/39-37 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29333999 |
| Storage class | 11 - Combustible Solids |
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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 29333999 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-36-37/39-37 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| 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-Amino-5-bromo-4-methylpyridine is used as a pharmaceutical intermediate.