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Key Documents

245615

Sigma-Aldrich

2-Bromo-4′-nitroacetophenone

95%

Synonym(s):

ω-Bromo-4-nitroacetophenone, 4-Nitrophenacyl bromide

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About This Item

Linear Formula:
O2NC6H4COCH2Br
CAS Number:
Molecular Weight:
244.04
Beilstein:
393567
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

95%

mp

94-99 °C (lit.)

functional group

bromo
ketone
nitro

SMILES string

[O-][N+](=O)c1ccc(cc1)C(=O)CBr

InChI

1S/C8H6BrNO3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4H,5H2

InChI key

MBUPVGIGAMCMBT-UHFFFAOYSA-N

Gene Information

human ... PTPN6(5777)

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Application

2-Bromo-4′-nitroacetophenone was used to study the pKa of the histidine-34 imidazole.

Pictograms

Corrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive 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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