4-Benzylpyridine
- CAS NO.：2116-65-6
- Empirical Formula: C12H11N
- Molecular Weight: 169.22
- MDL number: MFCD00006443
- EINECS: 218-319-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-05-25 18:01:13
What is 4-Benzylpyridine?
Chemical properties
colorless or clear slightly yellow liquid. Boiling point 284-287°C, 180-181°C (4.13kPa). Relative density 1.062, refractive index 1.5785. soluble in ethanol, ether, insoluble in water.
The Uses of 4-Benzylpyridine
4-Benzylpyridine is an important raw material and intermediate used in organic synthesis, pharmaceuticals, dyes and agrochemicals.It is the key raw material for the synthesis of Ifenprodil hemitartrate.
Preparation
4-Benzylpyridine is synthesized from benzyl chloride and pyridine.
Synthesis Reference(s)
The Journal of Organic Chemistry, 27, p. 1889, 1962 DOI: 10.1021/jo01052a509
Safety Profile
Poison by ingestion andintravenous routes. A flammable material. Incompatible with oxidizers. When heated to decomposition it emitstoxic fumes of NOx.
Purification Methods
Dry it with NaOH for several days, then distil it from CaO under reduced pressure, and redistil the middle fraction. [Beilstein 20/7 V 561.]
Properties of 4-Benzylpyridine
| Melting point: | 9-11 °C |
| Boiling point: | 287 °C (lit.) |
| Density | 1.061 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | 239 °F |
| storage temp. | Indoors |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Liquid |
| pka | 5.75±0.10(Predicted) |
| color | yellow |
| PH | 8 (H2O, 20℃) |
| Water Solubility | Soluble in ethanol, ethyl ether. Insoluble in water. |
| BRN | 115831 |
| CAS DataBase Reference | 2116-65-6(CAS DataBase Reference) |
| NIST Chemistry Reference | Pyridine, 4-(phenylmethyl)-(2116-65-6) |
| EPA Substance Registry System | Pyridine, 4-(phenylmethyl)- (2116-65-6) |
Safety information for 4-Benzylpyridine
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 4-Benzylpyridine
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