Benzoylacetonitrile

ALDRICH/272728 - 99%

Synonym: β-Oxohydrocinnamonitrile

CAS Number: 614-16-4
Empirical Formula (Hill Notation): C₉H₇NO
Molecular Weight: 145.16
EC Number: 210-369-1
MDL Number: MFCD00001942
Linear Formula: C₆H₅COCH₂CN
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-272728-5G	5 g	$53.40 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	99%
bp	160 °C/10 mmHg (lit.)
form	solid
InChI	1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
InChI key	ZJRCIQAMTAINCB-UHFFFAOYSA-N
mp	82-83 °C (lit.)
Quality Level	100
SMILES string	O=C(CC#N)c1ccccc1

Application:	Benzoylacetonitrile was used in the synthesis of substituted naphtho[1,8-bc]pyrans. It was also used as building block in the preparation of 4H-pyrans, 2-pyridones, furans and carbocyclics.
Packaging:	5 g in glass bottle

Symbol	GHS07
Signal word	Warning
Hazard statements	H302 + H312 + H332 - H315 - H319 - H335
Precautionary statements	P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
Hazard Codes	Xn
Risk Statements	20/21/22-36/37/38
Safety Statements	26-36
RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	99%
bp	160 °C/10 mmHg (lit.)
mp	82-83 °C (lit.)
UNSPSC	12352100

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