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Merck
CN

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

Key Documents

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InChI key

NWWWGAKVHCSAEU-UHFFFAOYSA-N

InChI

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

SMILES string

BrCCCCC#N

assay

98%

form

liquid

refractive index

n20/D 1.478 (lit.)

density

1.388 g/mL at 25 °C (lit.)

Quality Level

100

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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

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKDB1626
MKCW6989
MKCM7001
MKCM2415
MKCM1205

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Michelle Muñoz-Osses et al.
Dalton transactions (Cambridge, England : 2003), 47(4), 1233-1242 (2018-01-05)
Substituted amino-piperazine derivatives were synthesized and used as precursors for the preparation of a series of new organometallic Re(i) imine complexes with the general formula [(η
Nitrile functionalized silver (I) N-heterocyclic carbene complexes: DFT calculations and antitumor studies
Hussaini SY, et al.
Transition Metal Chemistry, 43(4), 301-312 (2018)
Kayla N Anderson et al.
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)
Franziska Kupke et al.
Scientific reports, 6, 37631-37631 (2016-11-25)
Isothiocyanates are the most intensively studied breakdown products of glucosinolates from Brassica plants and well recognized for their pleiotropic effects against cancer but also for their genotoxic potential. However, knowledge about the bioactivity of glucosinolate-borne nitriles in foods is very

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