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73120

Supelco

4-Nitrobenzoyl chloride

for HPLC derivatization, LiChropur™, ≥99.0% (GC)

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Linear Formula:
O2NC6H4COCl
CAS Number:
122-04-3
Molecular Weight:
185.56
Beilstein:
473192
EC Number:
204-517-4
MDL number:
MFCD00007345
UNSPSC Code:
12000000
PubChem Substance ID:
329764631
NACRES:
NA.22

grade

for HPLC derivatization

Quality Level

100

Assay

≥99.0% (GC)

form

crystals

quality

LiChropur™

technique(s)

HPLC: suitable

ign. residue

≤0.05% (as SO4)

bp

202-205 °C/105 mmHg (lit.)

mp

71-74 °C (lit.)
71-74 °C

SMILES string

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

InChI

1S/C7H4ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4H

InChI key

SKDHHIUENRGTHK-UHFFFAOYSA-N

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General description

4-Nitrobenzoyl chloride is a derivatization reagent. It reacts with L-glutamic acid undergoing methylation using formaldehyde, synthesizing N-(4-methylaminobenzoyl)glutaminic acid.

Application

4-Nitrobenzoyl chloride was used in separating polyhydric alcohols using HPLC. It was used in snythesizing cellulose benzotates by adding to cellulose/1-allyl-3-methylimidazolium chloride followed by characterization using FT-IF, 1H-NMR and 13C-NMR spectroscopy. It may be used in synthesizing 1-aryloxyacetyl-4-(4-nitrobenzoyl)-thiosemicarbazides under phase transfer catalysis and microwave irradiation with ammonium thiocyanate and aryloxyacetic acid hydrazides.

Other Notes

Derivatization of hydroxy groups for HPLC

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Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Pictograms

Corrosion
GHS05

Signal Word

Danger

Hazard Statements

H290,H314

Hazard Classifications

Eye Dam. 1 - Met. Corr. 1 - Skin Corr. 1B

WGK

WGK 1

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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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F Nachtmann et al.
Journal of chromatography, 122, 293-303 (1976-07-07)
The separation and quantitative determination of digitalis glycosides by high performance liquid chromatography following derivatization with 4-nitrobenzoylchloride (4-NBC1) is described. The compounds of primary interest were the digitalis glycosides and aglycones of the pharmaceutically important A, B and C series
The synthesis of silica-immobilized 1, 2-naphthoquinone thiosemicarbazone with 3-aminopropyltriethoxy silane and 4-nitrobenzoyl chloride.
Audu, Aramani A.
Reactive Polymers, 10, 3-9 (1989)
[Experimental establishment of the maximum permissible concentration of para-nitrobenzoylchloride in the air of a work area].
M Ia Kudria et al.
Gigiena truda i professional'nye zabolevaniia, (9)(9), 47-48 (1984-09-01)
Tatsuya Higashi et al.
Steroids, 71(7), 609-617 (2006-04-20)
The liquid chromatography-mass spectrometry (LC-MS) methods were developed and validated for the determination of testosterone (T) in the brain and serum of rats and of 5alpha-androstane-3alpha,17beta-diol (ADIOL), a metabolite of T, in the brain of rats. After derivatization of T
M Ishigai et al.
Analytical biochemistry, 298(1), 83-92 (2001-10-25)
The dynamics of enzyme-catalyzed glutathione conjugation was studied by electrospray quadrupole/time-of-flight (Q-TOF) mass spectrometry with a nanospray interface. After incubation of human glutathione S-transferase A1-1 (GT) with glutathione (GSH) and an electrophilic substrate, electrospray indicated the presence of enzyme/product adducts
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