4-Cyanobenzyl bromide
Synonym(s):α-Bromo-p-tolunitrile;4-Cyanobenzyl bromide
- CAS NO.：17201-43-3
- Empirical Formula: C8H6BrN
- Molecular Weight: 196.04
- MDL number: MFCD00001829
- EINECS: 241-246-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-11-03 20:31:18
What is 4-Cyanobenzyl bromide?
Chemical properties
white to light yellow crystal powde
The Uses of 4-Cyanobenzyl bromide
A benzyl halide as postemergence herbicides.
The Uses of 4-Cyanobenzyl bromide
4-(Bromomethyl)benzonitrile is used in the synthesis of ligands containing a chelating pyrazolyl-pyridine group with a pendant aromatic nitrile. It is also useful in the preparation of 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile by reaction with 2H-tetrazole in the presence of potassium hydroxide.
The Uses of 4-Cyanobenzyl bromide
4-(Bromomethyl)benzonitrile may be used in the synthesis of ligands containing a chelating pyrazolyl-pyridine group with a pendant aromatic nitrile.
General Description
4-(Bromomethyl)benzonitrile reacts with 2H-tetrazole in the presence of KOH to yield 4-[(2H-tetra-zol-2-yl)methyl]benzonitrile.
Properties of 4-Cyanobenzyl bromide
| Melting point: | 115-117 °C(lit.) |
| Boiling point: | 143 °C / 12mmHg |
| Density | 1.5466 (rough estimate) |
| refractive index | 1.6550 (estimate) |
| storage temp. | Inert atmosphere,2-8°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Liquid |
| color | Clear colorless to yellow |
| Water Solubility | Soluble in chloroform and methanol. Insoluble in water. |
| BRN | 636717 |
| InChI | InChI=1S/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H2 |
| CAS DataBase Reference | 17201-43-3(CAS DataBase Reference) |
| NIST Chemistry Reference | «ALPHA»-bromo-p-tolunitrile(17201-43-3) |
| EPA Substance Registry System | Benzonitrile, 4-(bromomethyl)- (17201-43-3) |
Safety information for 4-Cyanobenzyl bromide
| Signal word | Danger |
| Pictogram(s) |
 Corrosion Corrosives GHS05  Health Hazard GHS08 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P284:Wear respiratory protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. 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-Cyanobenzyl bromide
| InChIKey | UMLFTCYAQPPZER-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(CBr)C=C1 |
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![4-CYANOBENZYLBROMIDE, [CYANO-14C]-](https://img.chemicalbook.in/StructureFile/ChemBookStructure5/GIF/CB6300377.gif)
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