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B83207

Sigma-Aldrich

5-Bromovaleronitrile

98%

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About This Item

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

Assay

98%

form

liquid

refractive index

n20/D 1.478 (lit.)

density

1.388 g/mL at 25 °C (lit.)

SMILES string

BrCCCCC#N

InChI

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

InChI key

NWWWGAKVHCSAEU-UHFFFAOYSA-N

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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

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

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

Target Organs

Respiratory system

Storage Class Code

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

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Michelle Muñoz-Osses et al.
Dalton transactions (Cambridge, England : 2003), 47(4), 1233-1242 (2018-01-05)
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Molecules (Basel, Switzerland), 23(5) (2018-05-23)
Alkaloids compose a large class of natural products, and mono-methylated polyamines are a common intermediate in their biosynthesis. In order to evaluate the role of selectively methylated natural products, synthetic strategies are needed to prepare them. Here, N-methylcadaverine is prepared
Nickel-catalyzed cross-coupling reaction of alkyl halides with organozinc and Grignard reagents with 1,3,8,10-tetraenes as additives.
Jun Terao et al.
Angewandte Chemie (International ed. in English), 43(45), 6180-6182 (2004-11-19)
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Scientific reports, 6, 37631-37631 (2016-11-25)
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