HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Fluoro-5-methylpyridine
2-Fluoro-5-m · uoro-5-methyL · 6-FLUORO-3-PICOLINE · 2-FLUORO-5-PICOLINE · Fluoromethylpyridine3 · 2-FLUORO-5-METHYPYRIDINE · 2-Bromo-1-methylpyridine · 2-FLUORO-5-METHYLPYRIDINE
Identifiers & Physical Properties
| CAS No. | 2369-19-9 |
|---|---|
| Molecular formula | C6H6FN |
| Average molar mass | 111.12 g/mol |
| Monoisotopic mass | 111.04842741 g/mol |
| SMILES | Cc1ccc(F)nc1 |
| InChIKey | AOSOZARHUJMBLZ-UHFFFAOYSA-N |
| PubChem CID | 2774635 |
| EC No. | 624-867-5 |
| DTXSID | DTXSID60379143 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 12.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 74.9 |
| Boiling point | 158-159 °C (lit.) |
| Density | 1.072 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.4730(lit.) |
| Flash point | 119 °F |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (acidity coefficient) | -0.14±0.10(Predicted) |
| Physical state | Liquid |
| Specific gravity | 1.077 |
| Color | Colorless to pale yellow |
| BRN | 107085 |
| InChI | InChI=1S/C6H6FN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3 |
| InChIKey | AOSOZARHUJMBLZ-UHFFFAOYSA-N |
| SMILES | C1(F)=NC=C(C)C=C1 |
| CAS DataBase Reference | 2369-19-9(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Warning |
| GHS hazard statements | H226-H315-H319-H335 |
| GHS precautionary statements | P210-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi,F |
| Risk statements (R) | 10-36/37/38 |
| Safety statements (S) | 16-26-36/37-36 |
| UN transport number | UN 1993 3/PG 3 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Flammable/Irritant |
| Hazard class | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Packing group | III |
| Customs code | 29333990 |
| Storage class | 3 - Flammable liquids |
Safety & Regulations
| GHS classification | WarningH226 (97.9%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (97.9%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| UN transport number | UN 1993 3/PG 3 |
| Customs code | 29333990 |
| Risk statements (R) | 10-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS02,GHS07 |
| Hazard symbols | Xi,F |
| hazard_note | Flammable/Irritant |
| Safety statements (S) | 16-26-36/37-36 |
| Hazard class | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Storage class | 3 - Flammable liquids |
| Packing group | III |
| Target organs | Respiratory system |
| GHS hazard statements | H226-H315-H319-H335 |
| GHS precautionary statements | P210-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2-Fluoro-5-methylpyridine serves as a starting material for the preparation of 6-fluoronicotinic acid[6].