ChemicalBook--->CAS DataBase List--->625-28-5

625-28-5

625-28-5 Structure

625-28-5 Structure
IdentificationMore
[Name]

3-Methylbutanenitrile
[CAS]

625-28-5
[Synonyms]

3-methylbutanenitrile
ISOAMYL NITRILE
ISOBUTYL CYANIDE
Isopenmnenitrile
ISOVALERONITRILE
2-Methylbutane secondary mononitrile
2-methylbutanesecondarymononitrile
3-methyl-butanenitril
3-methyl-butyronitril
3-Methylbutyronitrile
3-methyl-butyronitrile
Butanenitrile,3-methyl-
Butyronitrile, 2-methyl-
Butyronitrile, 3-methyl-
iso-C4H9CN
Isopentane nitrile
isopentanenitrile
ISOVALERONITRILE 98+%
[EINECS(EC#)]

210-884-1
[Molecular Formula]

C5H9N
[MDL Number]

MFCD00001944
[Molecular Weight]

83.13
[MOL File]

625-28-5.mol
Chemical PropertiesBack Directory
[Melting point ]

-100.8°C
[Boiling point ]

128-130 °C730 mm Hg(lit.)
[density ]

0.795 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.393(lit.)
[Fp ]

83 °F
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Liquid
[color ]

Clear colorless
[Dielectric constant]

13.3(23℃)
[InChIKey]

QHDRKFYEGYYIIK-UHFFFAOYSA-N
[LogP]

1.070
[CAS DataBase Reference]

625-28-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanenitrile, 3-methyl-(625-28-5)
[EPA Substance Registry System]

625-28-5(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
R22:Harmful 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 1992 3/PG 3
[WGK Germany ]

3
[RTECS ]

NY1750000
[HazardClass ]

3.2
[PackingGroup ]

III
[HS Code ]

29269095
Raw materials And Preparation ProductsBack Directory
[Raw materials]

4-MethylpentanaMide-->N-(2,6-dimethylheptan-4-ylidene)hydroxylamine-->3-methylbutyraldehyde oxime-->ISOVALERAMIDE-->ISOAMYLAMINE-->DL-Leucine-->POTASSIUM CYANIDE-->1-Bromo-2-methylpropane-->L-Leucine-->Isovaleric acid-->Isovaleraldehyde
[Preparation Products]

2-(P-HYDROXYPHENYL)ISOVALERIC ACID-->5,7-dichloro-3-isopropylpyrazolo[1,5-a]pyrimidine-->Triisopentylamine-->1-Butanimine, 3-methyl-
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Isobutyl cyanide(625-28-5).msds
Hazard InformationBack Directory
[Uses]

Isovaleronitrile was used in the synthesis of a new type of nitrilase, arylacetonitrilase by Alcaligenes faecalis JM3 cells.
[Definition]

ChEBI: Isovaleronitrile is an aliphatic nitrile that is 2-methylpropane substituted by a cyano group at position 1. It has a role as a plant metabolite. It is an aliphatic nitrile and a volatile organic compound.
[General Description]

Isovaleronitrile induced Rhodococcus ATCC 39484 produced a nitrilase.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Methylbutanenitrile(625-28-5)MS
3-Methylbutanenitrile(625-28-5)1HNMR
3-Methylbutanenitrile(625-28-5)13CNMR
3-Methylbutanenitrile(625-28-5)IR1
3-Methylbutanenitrile(625-28-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

625-28-5(sigmaaldrich)
[TCI AMERICA]

Isovaleronitrile,>98.0%(GC)(625-28-5)
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