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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:
2423-71-4
Molecular Weight:
167.16
Beilstein:
1873275
EC Number:
219-353-9
MDL number:
MFCD00007339
UNSPSC Code:
12352100
PubChem Substance ID:
24848069
NACRES:
NA.22

Assay

98%

mp

168 °C (dec.) (lit.)

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

Certificates of Analysis (COA)

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Disposition requirements for binding in aqueous solution of polar substrates in the cyclohexaamylose cavity.
Bergeron RJ, et al.
Journal of the American Chemical Society, 99(15), 5146-5151 (1977)
Juan V Sancho et al.
Rapid communications in mass spectrometry : RCM, 16(7), 639-645 (2002-03-29)
The potential of liquid chromatography combined with tandem mass spectrometry (LC/MS/MS) for the determination of pesticide metabolites in human urine at the sub-ppb level is explored. Metabolites from two organophosphorous pesticides, 4-nitrophenol (from parathion and parathion-methyl) and 3-methyl-4-nitrophenol (from fenitrothion)
Tomohiro Ito et al.
Environmental science and pollution research international, 26(22), 22747-22755 (2019-06-07)
Secondary organic aerosol (SOA) is a component of airborne particulate matter in urban areas. However, their toxicities remain incompletely understood. In this study, we investigated the oxidative and inflammatory potency of SOA derived from three different volatile organic compounds (α-pinene

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