| Identification | More | [Name]
5-BROMOVALERONITRILE | [CAS]
5414-21-1 | [Synonyms]
4-BROMOBUTYL CYANIDE
5-BROMOPENTANENITRILE
5-BROMOVALERONITRILE
BROMOVALERONITRILE
Pentanenitrile, 5-bromo-
5-Bromopentanonitrile
Bromovaleronitrile,95%
5-Bromovaleronitrile,98+% | [EINECS(EC#)]
226-505-8 | [Molecular Formula]
C5H8BrN | [MDL Number]
MFCD00001976 | [Molecular Weight]
162.03 | [MOL File]
5414-21-1.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID | [Boiling point ]
110-111 °C (12 mmHg)
| [density ]
1.388 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.478(lit.)
| [Fp ]
>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 | [InChIKey]
NWWWGAKVHCSAEU-UHFFFAOYSA-N | [SMILES]
C(#N)CCCCBr | [CAS DataBase Reference]
5414-21-1(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing . | [RIDADR ]
UN 3276 6.1/PG 3
| [WGK Germany ]
3
| [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 |
| Hazard Information | Back Directory | [Chemical Properties]
CLEAR COLOURLESS TO LIGHT YELLOW LIQUID | [Uses]
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.
| [Uses]
5-Bromovaleronitrile is used to produce 5-Bromo-pentanoic acid. |
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