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25570-03-0

25570-03-0 Structure

25570-03-0 Structure
IdentificationBack Directory
[Name]

(S)-(+)-2-METHYLBUTYRONITRILE
[CAS]

25570-03-0
[Synonyms]

(S)-2-Methylbutanenitrile
(2S)-2-Methylbutanenitrile
(S)-(+)-2-METHYLBUTYRONITRILE
Butanenitrile, 2-methyl-, (2S)-
(S)-(+)-2-Methylbutyronitrile 98%
[Molecular Formula]

C5H9N
[MDL Number]

MFCD00063013
[MOL File]

25570-03-0.mol
[Molecular Weight]

83.13
Chemical PropertiesBack Directory
[Melting point ]

-60.33°C (estimate)
[Boiling point ]

125-126 °C(lit.)
[density ]

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

n20/D 1.39(lit.)
[Fp ]

76 °F
[storage temp. ]

2-8°C
[Optical Rotation]

[α]20/D +31°, neat
[InChI]

1S/C5H9N/c1-3-5(2)4-6/h5H,3H2,1-2H3/t5-/m0/s1
[InChIKey]

RCEJCSULJQNRQQ-YFKPBYRVSA-N
[SMILES]

CC[C@H](C)C#N
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

10-20/21/22
[Safety Statements ]

16-36
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[HazardClass ]

3.2
[PackingGroup ]

III
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Flam. Liq. 3
Hazard InformationBack Directory
[Uses]

Chiral building block
[Definition]

ChEBI: (2S)-2-methylbutanenitrile is a 2-methylbutyronitrile that has S configuration.
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-(+)-2-METHYLBUTYRONITRILE(25570-03-0)1HNMR
(S)-(+)-2-METHYLBUTYRONITRILE(25570-03-0)Raman
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