Home Categories Chemical Reagents (4-Bromobenzoyl)acetonitrile
A1383412

(4-Bromobenzoyl)acetonitrile , 97% , 4592-94-3

Synonym(s):
p-Bromobenzoylacetonitrile;3-(4-Bromophenyl)-3-oxopropanenitrile;4-Bromo-β-oxo-benzenepropanenitrile

CAS NO.:4592-94-3

Empirical Formula: C9H6BrNO

Molecular Weight: 224.05

MDL number: MFCD00996063

Pack Size Price Stock Quantity
1G RMB52.80 In Stock
5G RMB262.40 In Stock
25G RMB951.20 In Stock
100g RMB2855.20 In Stock
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Update time: 2022-07-08

PRODUCT Properties

Melting point: 161-163
Boiling point: 370.0±27.0 °C(Predicted)
Density  1.523±0.06 g/cm3(Predicted)
storage temp.  Sealed in dry,Room Temperature
form  solid
pka 7.37±0.10(Predicted)
Appearance Light yellow to yellow Solid
InChI 1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-4H,5H2
InChIKey HSNWUXWZCSDJPL-UHFFFAOYSA-N
SMILES Brc1ccc(cc1)C(=O)CC#N
CAS DataBase Reference 4592-94-3(CAS DataBase Reference)

Description and Uses

4-Bromobenzoylacetonitrile is a useful research chemical used in the preparation of mechanistic studies, and fluorescence of naphtho[1,8-bc]pyrans via rhodium-catalyzed cascade oxidative annulation of benzoylacetonitriles with internal alkynes.

Safety

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs Respiratory system
PPE dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26
WGK Germany  3
HazardClass  IRRITANT
HS Code  2926907090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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