ChemicalBook--->CAS DataBase List--->13635-04-6

13635-04-6

13635-04-6 Structure

13635-04-6 Structure
IdentificationBack Directory
[Name]

3-HYDROXY-3-METHYLBUTYRONITRILE
[CAS]

13635-04-6
[Synonyms]

β-hydroxyisovaleronitrile
BETA-HYDROXYISOVALERONITRILE
3-hydroxy-3-Methylbutanenitrile
3-HYDROXY-3-METHYLBUTYRONITRILE
1-Cyano-2-methyl-2-propyl alcohol
Butanenitrile, 3-hydroxy-3-methyl-
3-HYDROXY-3-METHYLBUTYRONITRILE 97+%
3-Hydroxy-3-Methylbutyronitrile >=97.0% (GC)
3-HYDROXY-3-METHYLBUTYRONITRILE ISO 9001:2015 REACH
[Molecular Formula]

C5H9NO
[MDL Number]

MFCD00043123
[MOL File]

13635-04-6.mol
[Molecular Weight]

99.13
Chemical PropertiesBack Directory
[Boiling point ]

114-116 °C/30 mmHg (lit.)
[density ]

0.959 g/mL at 20 °C (lit.)
[refractive index ]

n20/D 1.430
[Fp ]

97 °C
[storage temp. ]

2-8°C
[Appearance]

Colorless to light yellow Liquid
[BRN ]

1738209
[InChI]

InChI=1S/C5H9NO/c1-5(2,7)3-4-6/h7H,3H2,1-2H3
[InChIKey]

CWPMDJFBWQJRGT-UHFFFAOYSA-N
[SMILES]

C(#N)CC(O)(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H332
[Precautionary statements ]

P261-P264-P270-P271-P301+P312-P304+P340+P312
[Hazard Codes ]

Xn
[Risk Statements ]

20/22
[RIDADR ]

UN 3276 6.1/PG 3
[WGK Germany ]

3
[HazardClass ]

6.1
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

3-Hydroxy-3-methylbutyronitrile may be used to synthesize 1,1-dimethylcyanoethyl bromoacetate.
[General Description]

3-Hydroxy-3-methylbutyronitrile is a β-hydroxynitrile. It undergoes thermal degradation in gas phase via a six-membered cyclic transition state. 3-Hydroxy-3-methylbutyronitrile can be synthesized from 2-hydroxy-2-methyl-1-bromopropane.
Spectrum DetailBack Directory
[Spectrum Detail]

3-HYDROXY-3-METHYLBUTYRONITRILE(13635-04-6)1HNMR
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