PHENYL-4-PYRIDYLMETHANE
4-Benzylpyridine
CAS: 2116-65-6
Molecular Formula: C12H11N
PHENYL-4-PYRIDYLMETHANE - Names and Identifiers
| Name | 4-Benzylpyridine |
| Synonyms | g-Benzylpyridine 4-Benzylpyridine 4-Benzyl pyridine PHENYL-4-PYRIDYLMETHANE 4-(Phenylmethyl)pyridine 4-(phenylmethyl)-pyridin 4-BENZYLPYRIDINE FOR SYNTHESIS |
| CAS | 2116-65-6 |
| EINECS | 218-319-0 |
| InChI | InChI=1/C12H11N/c1-2-4-11(5-3-1)10-12-6-8-13-9-7-12/h1-9H,10H2 |
PHENYL-4-PYRIDYLMETHANE - Physico-chemical Properties
| Molecular Formula | C12H11N |
| Molar Mass | 169.22 |
| Density | 1.061 g/mL at 25 °C (lit.) |
| Melting Point | 9-11 °C |
| Boling Point | 287 °C (lit.) |
| Flash Point | 239°F |
| Water Solubility | Soluble in ethanol, ethyl ether. Insoluble in water. |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.00492mmHg at 25°C |
| Appearance | Liquid |
| Color | yellow |
| BRN | 115831 |
| pKa | 5.75±0.10(Predicted) |
| PH | 8 (H2O, 20℃) |
| Storage Condition | Indoors |
| Refractive Index | n20/D 1.582(lit.) |
| Physical and Chemical Properties | Colorless or light yellow liquid. Boiling point of 284-287 °c, 180-181 °c (4.13kPa). Relative density 1.062, refractive index 1.5785. Soluble in ethanol, ether, insoluble in water. |
PHENYL-4-PYRIDYLMETHANE - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| RTECS | US2625000 |
| TSCA | Yes |
| HS Code | 29333999 |
| Toxicity | LD50 ivn-mus: 25 mg/kg CSLNX* NX#12240orl-bwd LD50:18 mg/kg TXAPA9 21,315,72 |
PHENYL-4-PYRIDYLMETHANE - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | is a key raw material for the synthesis of ifendiel tartrate. it is an organic synthesis intermediate and a pharmaceutical intermediate that can be used in laboratory research and development and chemical and pharmaceutical synthesis. Used as an intermediate for drugs and dyes. |
| Preparation | The mixture of 4-benzoylpyridine (24,2.0g,11mmol), sodium iodide (3.3g,22mmol) in hydrobromic acid (12ml) and acetic acid (8ml) was heated at 115°C to mild reflux. Hypophosphoric acid (3.4ml,50%,33mmol) was slowly added to the reaction within 30 minutes by a syringe pump. The reaction was monitored by TLC and completed within 5 hours. Treat and remove the solvent to give 1.7g of dark red oil. |
| Production method | Made from benzyl chloride and pyridine. |
| category | toxic substances |
| toxicity classification | highly toxic |
| acute toxicity | intravenous-mouse LD50: 25 mg/kg; Oral-wild bird LD50: 18 mg/kg |
| Explosive hazard characteristics | Intense reaction with oxidant |
| flammability hazard characteristics | open flame is flammable; combustion produces toxic nitrogen oxide smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from oxidant |
| fire extinguishing agent | dry powder, foam, carbon dioxide, sand |
Last Update：2024-04-09 21:04:16
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