5-BROMOVALERONITRILE
- CAS NO.：5414-21-1
- Empirical Formula: C5H8BrN
- Molecular Weight: 162.03
- MDL number: MFCD00001976
- EINECS: 226-505-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-09-05 17:53:06
What is 5-BROMOVALERONITRILE?
Chemical properties
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID
The Uses of 5-BROMOVALERONITRILE
5-Bromovaleronitrile is used to produce 5-Bromo-pentanoic acid.
The Uses of 5-BROMOVALERONITRILE
5-Bromovaleronitrile can be used as a reactant to prepare:
- A key intermediate benzyl(methyl)amino)pentanenitrile, which is used in the synthesis of N-methylcadaverine.
- 1-cyanobutyl-3-alkylbenzimidazolium bromide salt by reacting with various N-alkylbenzimidazoles.
- Tridecanenitrile by Ni-catalyzed cross-coupling reaction with dioctylzinc in the presence of tetraene and MgBr2.
Properties of 5-BROMOVALERONITRILE
| Boiling point: | 110-111 °C (12 mmHg) |
| Density | 1.388 g/mL at 25 °C (lit.) |
| refractive index | n |
| Flash point: | >230 °F |
| storage temp. | Inert atmosphere,2-8°C |
| form | clear liquid |
| color | Colorless to Light orange to Yellow |
| Water Solubility | Slightly soluble in water (4.1 g/L at 25°C). |
| BRN | 1742080 |
| InChI | InChI=1S/C5H8BrN/c6-4-2-1-3-5-7/h1-4H2 |
| CAS DataBase Reference | 5414-21-1(CAS DataBase Reference) |
Safety information for 5-BROMOVALERONITRILE
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
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. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. 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 5-BROMOVALERONITRILE
| InChIKey | NWWWGAKVHCSAEU-UHFFFAOYSA-N |
| SMILES | C(#N)CCCCBr |
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