2-Phenylbutyronitrile

ALDRICH/222739 - 95%

Synonym: α-Ethylphenylacetonitrile

CAS Number: 769-68-6
Empirical Formula (Hill Notation): C₁₀H₁₁N
Molecular Weight: 145.20
EC Number: 212-213-8
MDL Number: MFCD00001876
Linear Formula: C₆H₅CH(CH₂CH₃)CN
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-222739-10G	10 g	$55.60 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	95%
bp	114-115 °C/15 mmHg (lit.)
density	0.974 g/mL at 25 °C (lit.)
functional group	nitrile
	phenyl
InChI	1S/C10H11N/c1-2-9(8-11)10-6-4-3-5-7-10/h3-7,9H,2H2,1H3
InChI key	IZPUPXNVRNBDSW-UHFFFAOYSA-N
Quality Level	100
refractive index	n20/D 1.5086 (lit.)
SMILES string	CCC(C#N)c1ccccc1

Application:	2-Phenylbutyronitrile was used in the preparation of Michael-adducts. It was also used in the preparation of S-amides by nitrile hydratase.
Packaging:	10 g in glass bottle

Symbol	GHS07
Signal word	Warning
Hazard statements	H302 + H312 + H332
Precautionary statements	P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312
Hazard Codes	Xn
Risk Statements	20/21/22
Safety Statements	36/37
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	221.0 °F - closed cup
Flash Point(C)	105 °C - closed cup

Purity	95%
bp	114-115 °C/15 mmHg (lit.)
Density	0.974 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.5086 (lit.)
UNSPSC	12352100

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