3-Hydroxy-3-methylbutyronitrile

ALDRICH/55624 - ≥97.0% (GC)

Synonym: β-Hydroxyisovaleronitrile

CAS Number: 13635-04-6
Empirical Formula (Hill Notation): C₅H₉NO
Molecular Weight: 99.13
MDL Number: MFCD00043123
Linear Formula: HOC(CH₃)₂CH₂CN
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-55624-10ML	10 mL	$226.00 1/EA		Add To Favorites
45-55624-50ML	50 mL	$843.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	≥97.0% (GC)
bp	114-116 °C/30 mmHg (lit.)
density	0.959 g/mL at 20 °C (lit.)
functional group	hydroxyl
	nitrile
InChI	1S/C5H9NO/c1-5(2,7)3-4-6/h7H,3H2,1-2H3
InChI key	CWPMDJFBWQJRGT-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.430
SMILES string	CC(C)(O)CC#N
storage temp.	2-8°C

Application:	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.
Packaging:	10, 50 mL in glass bottle

Symbol	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 / PGIII
WGK Germany	WGK 3
Flash Point(F)	206.6 °F - closed cup
Flash Point(C)	97 °C - closed cup

Purity	≥97.0% (GC)
bp	114-116 °C/30 mmHg (lit.)
Density	0.959 g/mL at 20 °C (lit.)
Refractive Index	n20/D 1.430
Storage Temp.	2-8°C
UNSPSC	12352100

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