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B83207

5-Bromovaleronitrile

98%

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About This Item

Linear Formula:
Br(CH2)4CN
CAS Number:
5414-21-1
Molecular Weight:
162.03
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24891939
EC Number:
226-505-8
Beilstein/REAXYS Number:
1742080
MDL number:
MFCD00001976
Assay:
98%
Form:
liquid
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Quality Segment

100

assay

98%

form

liquid

refractive index

n20/D 1.478 (lit.)

density

1.388 g/mL at 25 °C (lit.)

functional group

bromo, nitrile

SMILES string

BrCCCCC#N

InChI

1S/C5H8BrN/c6-4-2-1-3-5-7/h1-4H2

InChI key

NWWWGAKVHCSAEU-UHFFFAOYSA-N

Application

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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