| Identification | More | [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 Properties | Back 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℃） | [InChI]
1S/C5H9N/c1-5(2)3-4-6/h5H,3H2,1-2H3 | [InChIKey]
QHDRKFYEGYYIIK-UHFFFAOYSA-N | [SMILES]
CC(C)CC#N | [LogP]
1.070 | [Surface tension]
26mN/m at 20°C | [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 Data | Back 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
| [TSCA ]
TSCA listed | [HazardClass ]
3.2 | [PackingGroup ]
III | [HS Code ]
29269095 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 3 Oral
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back 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. |
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