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
Beilstein:
473192
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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
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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>
Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Dam. 1 - Met. Corr. 1 - Skin Corr. 1B
Storage Class Code
8A - Combustible corrosive hazardous materials
WGK
WGK 1
Flash Point(F)
215.6 °F - closed cup
Flash Point(C)
102 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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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
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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
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