838-96-0
4-Benzyloxyphenylacetonitrile
CAS: 838-96-0
Molecular Formula: C15H13NO
838-96-0 - Names and Identifiers
| Name | 4-Benzyloxyphenylacetonitrile |
| Synonyms | 4-BENZYLOXYBENZYL CYANIDE 4-Benzyloxybenzyl cyanide 4-BENZYLOXYPHENYLACETONITRILE 4-Benzyloxyphenylacetonitrile Para Benzyloxy Phenyl Acetonitrile 2-[4-(benzyloxy)phenyl]acetonitrile Benzeneacetonitrile, 4-(phenylmethoxy)- |
| CAS | 838-96-0 |
| EINECS | 617-499-1 |
| InChI | InChI=1/C15H13NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10,12H2 |
838-96-0 - Physico-chemical Properties
| Molecular Formula | C15H13NO |
| Molar Mass | 223.27 |
| Density | 1.114g/cm3 |
| Melting Point | 65 °C |
| Boling Point | 170-173°C 0,1mm |
| Flash Point | 170-173°C/0.1mm |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 3.29E-06mmHg at 25°C |
| Appearance | Powder |
| Color | Cream |
| Maximum wavelength(λmax) | ['284nm(EtOH aq.)(lit.)'] |
| BRN | 2377584 |
| Storage Condition | Inert atmosphere,Room Temperature |
| Refractive Index | 1.582 |
| MDL | MFCD00016400 |
838-96-0 - Risk and Safety
| Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and 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. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S36 - Wear suitable protective clothing. S36/37 - Wear suitable protective clothing and gloves. |
| UN IDs | 3439 |
| HS Code | 29269090 |
| Hazard Class | 6.1 |
| Packing Group | III |
838-96-0 - Introduction
The chemical formula C15H13NO is an organic compound. It is a colorless to pale yellow solid with a special aroma. The following is a detailed description of its nature, use, preparation and safety information:
Nature:
-Appearance: Colorless to light yellow solid
-Molecular weight: 223.27g/mol
-Melting point: about 42-45°C
-Boiling point: about 180°C
-Solubility: Soluble in organic solvents such as ethanol, chloroform and dimethylthionamide
Use:
Many uses in organic synthesis, such:
-As an intermediate in organic synthesis: It can be used to synthesize biologically active compounds, such as drugs and pesticides.
-Used in synthetic materials science research: can be used to prepare polymers, coatings and functional materials.
Preparation Method:
It can be synthesized by the following steps:
1. p-Toluene (C6H5CH3) and hydrogen chloride (HCl) are reacted in the presence of a base to produce p-tolyl methyl ether (C6H5CH2OCH3).
2. Oxidation of p-tolyl methyl ether with sodium hypochlorite (NaClO) to generate p-tolyl formaldehyde (C6H5CH2CHO).
3. The p-tolyl formaldehyde and sodium cyanide (NaCN) react in the presence of alkali to generate a metal salt.
Safety Information:
-must have low toxicity under normal use conditions.
-During operation, care should be taken to prevent inhalation, swallowing or contact with skin and eyes.
-Wear appropriate protective equipment such as gloves, goggles and lab coats when used.
-During storage and handling, keep away from fire and high temperature, and avoid contact with oxidants.
-Dispose of waste after use and disposal and comply with local chemical handling regulations.
Nature:
-Appearance: Colorless to light yellow solid
-Molecular weight: 223.27g/mol
-Melting point: about 42-45°C
-Boiling point: about 180°C
-Solubility: Soluble in organic solvents such as ethanol, chloroform and dimethylthionamide
Use:
Many uses in organic synthesis, such:
-As an intermediate in organic synthesis: It can be used to synthesize biologically active compounds, such as drugs and pesticides.
-Used in synthetic materials science research: can be used to prepare polymers, coatings and functional materials.
Preparation Method:
It can be synthesized by the following steps:
1. p-Toluene (C6H5CH3) and hydrogen chloride (HCl) are reacted in the presence of a base to produce p-tolyl methyl ether (C6H5CH2OCH3).
2. Oxidation of p-tolyl methyl ether with sodium hypochlorite (NaClO) to generate p-tolyl formaldehyde (C6H5CH2CHO).
3. The p-tolyl formaldehyde and sodium cyanide (NaCN) react in the presence of alkali to generate a metal salt.
Safety Information:
-must have low toxicity under normal use conditions.
-During operation, care should be taken to prevent inhalation, swallowing or contact with skin and eyes.
-Wear appropriate protective equipment such as gloves, goggles and lab coats when used.
-During storage and handling, keep away from fire and high temperature, and avoid contact with oxidants.
-Dispose of waste after use and disposal and comply with local chemical handling regulations.
Last Update：2024-04-09 02:00:48
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