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About This Item
Linear Formula:
BrCH2COC6H4CN
CAS Number:
Molecular Weight:
224.05
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Recommended Products
Assay
96%
mp
92-96 °C (lit.)
functional group
bromo
ketone
nitrile
SMILES string
BrCC(=O)c1ccc(cc1)C#N
InChI
1S/C9H6BrNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4H,5H2
InChI key
LJANCPRIUMHGJE-UHFFFAOYSA-N
General description
2-Bromo-4′-cyanoacetophenone can be synthesized from ethylbenzene via aerobic photooxidation using aqueous HBr.
Application
2-Bromo-4′-cyanoacetophenone may be used to synthesize:
- 3-acylindolizines
- (2R,3R)-3-[4-(4-cyanophenyl)thiazol-2-yl]-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
- 1-[2-(4-cyanophenyl)-2-oxoethyl]-1,10-phenanthrolinium bromide
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Dam. 1 - Skin Corr. 1B
Storage Class Code
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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