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Key Documents

415766

Sigma-Aldrich

2′-Hydroxy-5′-methyl-3′-nitroacetophenone

99%

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About This Item

Linear Formula:
HOC6H2(CH3)(NO2)COCH3
CAS Number:
Molecular Weight:
195.17
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

99%

mp

133-136 °C (lit.)

SMILES string

CC(=O)c1cc(C)cc(c1O)[N+]([O-])=O

InChI

1S/C9H9NO4/c1-5-3-7(6(2)11)9(12)8(4-5)10(13)14/h3-4,12H,1-2H3

InChI key

XSHQMMIEZHWNAK-UHFFFAOYSA-N

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Aromatic solvent effect on the rotational isomerism in 2-hydroxy-5-methyl-3-nitroacetophenone.
Konopacka A, et al.
Journal of Physical Organic Chemistry, 18(12), 1190-1195 (2005)
Densities and ultrasonic speed of 2-hydroxy-5-methyl-3-nitro acetophenone in N,N-dimethylformamide at different temperatures.
Aswar AS and Choudhary DS.
Bulletin of the Chemical Society of Ethiopia, 27(1), 155-160 (2012)

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