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Merck
CN

02533

4-Nitrophenol-2,3,5,6-d4

PESTANAL®, analytical standard

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About This Item

Linear Formula:
O2NC6D4OH
CAS Number:
93951-79-2
Molecular Weight:
143.13
NACRES:
NA.24
PubChem Substance ID:
329747451
UNSPSC Code:
41116107
MDL number:
MFCD00143352

Key Documents

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InChI

1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H/i1D,2D,3D,4D

SMILES string

[2H]c1c([2H])c(c([2H])c([2H])c1O)[N+]([O-])=O

InChI key

BTJIUGUIPKRLHP-RHQRLBAQSA-N

grade

analytical standard

product line

PESTANAL®

assay

≥98.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

mp

113-115 °C (lit.)

application(s)

environmental

format

neat

mass shift

M+4

Quality Level

200

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General description

4-Nitrophenol-2,3,5,6-d4 is a deuterium-labeled isotope of 4-nitrophenol wherein C-2, C-3, C-5, and C-6 protons are replaced by deuterium.

Application

4-Nitrophenol-2,3,5,6-d4 may be used as a pesticide analytical standard for the determination of 4-nitrophenol in diesel exhaust particles by liquid chromatography-mass spectrometry (LC-MS). It can be used as an internal standard for the determination of the analyte in biological samples, and volatile organic compounds (VOCs) dominated urban atmosphere by various chromatography techniques.

Legal Information

PESTANAL is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

Danger

Hazard Classifications

Acute Tox. 3 Oral - Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - STOT RE 2 Oral

target_organs

Kidney,Liver

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ6195
BCCD3303
BCCC0302
BCBT1321

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The formation of nitro-aromatic compounds under high NOx-anthropogenic VOCs dominated atmosphere in summer in Beijing, 2 China 3
Wang Y, et al.
Atmospheric Chemistry and Physics Discussions, 2019, 1-22 (2019)
4-Nitrophenol, 1-nitropyrene, and 9-nitroanthracene emissions in exhaust particles from diesel vehicles with different exhaust gas treatments
Inomata S. et al.
Atmospheric Environment, 110, 93-102 (2015)
Marina López-García et al.
Journal of pharmaceutical and biomedical analysis, 173, 31-39 (2019-05-21)
There is a growing concern to pesticide exposure in humans, being the organophosphate (OP), carbamate and pyrethroid the most commonly used insecticides. Therefore, a fast, simple and automated screening method based on ultra-high performance liquid chromatography coupled to Orbitrap high

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