112208
4-Nitrobenzoyl chloride
98%
Synonym(s):
p-Nitrobenzoyl chloride
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About This Item
Linear Formula:
O2NC6H4COCl
CAS Number:
Molecular Weight:
185.56
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
204-517-4
Beilstein/REAXYS Number:
473192
MDL number:
Assay:
98%
Form:
solid
Quality Level
assay
98%
form
solid
bp
202-205 °C/105 mmHg (lit.)
mp
71-74 °C (lit.)
functional group
acyl chloride, nitro
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
General description
4-Nitrobenzoyl chloride reacts with triphenylphosphonium salt to synthesize benzofurans (potential positron emission tomography (PET) tracers) by the intramolecular Wittig reaction.It has been used for the derivatisation of Adiol (Androstenediol, an endogenous proliferation agent of prostate cancer).
Application
<ul>
<li><strong>Automated Synthesis of [11C]PiB:</strong> 4-Nitrobenzoyl chloride is utilized in the automated synthesis of [11C]PiB, a radiopharmaceutical for PET imaging of amyloid, highlighting its role in enhancing neuroimaging techniques (Singh et al., 2024).</li>
</ul>
<li><strong>Automated Synthesis of [11C]PiB:</strong> 4-Nitrobenzoyl chloride is utilized in the automated synthesis of [11C]PiB, a radiopharmaceutical for PET imaging of amyloid, highlighting its role in enhancing neuroimaging techniques (Singh et al., 2024).</li>
</ul>
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signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Met. Corr. 1 - Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 1
flash_point_f
215.6 °F - closed cup
flash_point_c
102 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Regulatory Information
危险化学品
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Masahiro Ono et al.
Journal of medicinal chemistry, 49(9), 2725-2730 (2006-04-28)
A novel series of benzofuran derivatives as potential positron emission tomography (PET) tracers targeting amyloid plaques in Alzheimer's disease (AD) were synthesized and evaluated. The syntheses of benzofurans were successfully achieved by an intramolecular Wittig reaction between triphenylphosphonium salt and
Tatsuya Higashi et al.
Steroids, 71(11-12), 1007-1013 (2006-09-19)
Androstenediol (Adiol, androst-5-ene-3beta,17beta-diol) is suspected of being an endogenous proliferation agent of prostate cancer (PCa) even after androgen deprivation therapy (ADT). A liquid chromatography-electron capture atmospheric pressure chemical ionization-mass spectrometric (LC-ECAPCI-MS) method for the determination of Adiol in prostatic tissue
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 112208-500G | 04061832489117 |
| 112208-250G | 04061835281329 |
| 112208-50G | 04061835281336 |