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5414-21-1

5414-21-1 Structure

5414-21-1 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[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
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

5-(Diethylamino)pentylamine-->Ethyl 5-bromovalerate-->5-(Dimethylamino)pentylamine-->BERTEROIN-->cis-9,10-Methyleneoctadecanoic acid-->Pentanenitrile, 5-aMino--->Cyclobutanecarbonitrile-->Norleucine, 6-cyano-N-[(1,1-dimethylethoxy)carbonyl]--->2-(3,4,5,6-tetrahydropyridin-2-yl)pyridine-->5-(dimethylamino)-pentanenitrile-->N'-(4-Cyanobutyl)-N-(4-methoxybenzyl)-N'-methyl-N-2-pyridinyl-1,2-ethanediamine
Hazard InformationBack 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.
Spectrum DetailBack Directory
[Spectrum Detail]

5-BROMOVALERONITRILE(5414-21-1)MS
5-BROMOVALERONITRILE(5414-21-1)1HNMR
5-BROMOVALERONITRILE(5414-21-1)13CNMR
5-BROMOVALERONITRILE(5414-21-1)IR1
5-BROMOVALERONITRILE(5414-21-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Bromovaleronitrile, 95%(5414-21-1)
[Alfa Aesar]

5-Bromovaleronitrile, 98+%(5414-21-1)
[Sigma Aldrich]

5414-21-1(sigmaaldrich)
[TCI AMERICA]

5-Bromovaleronitrile,>95.0%(GC)(5414-21-1)
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