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Key Documents

132713

Sigma-Aldrich

2,6-Dimethyl-4-nitrophenol

98%

Synonym(s):

4-Nitro-2,6-xylenol

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About This Item

Linear Formula:
O2NC6H2(CH3)2OH
CAS Number:
Molecular Weight:
167.16
Beilstein:
1873275
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

98%

mp

168 °C (dec.) (lit.)

functional group

nitro

SMILES string

Cc1cc(cc(C)c1O)[N+]([O-])=O

InChI

1S/C8H9NO3/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4,10H,1-2H3

InChI key

FNORUNUDZNWQFF-UHFFFAOYSA-N

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Application

2,6-Dimethyl-4-nitrophenol was used to study the disposition requirement for binding of p-nitrophenol and sodium p-nitrophenolate like substrates with cyclohexaamylaose. It was used as internal standard in determination of 4-nitrophenol and 3-methyl-4-nitrophenol in human urine by liquid chromatography combined with tandem mass spectrometry .

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

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