112208

4-Nitrobenzoyl chloride

98%

• Synonym(s): p-Nitrobenzoyl chloride
• Linear Formula: O₂NC₆H₄COCl
• CAS Number: 122-04-3
• Molecular Weight: 185.56
• Beilstein: 473192
• EC Number: 204-517-4
• MDL number: MFCD00007345
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847076
• NACRES: NA.22

Properties

• Quality Level: 200
• 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

Description

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>

Safety Information

• Pictograms: GHS05
• Signal Word: Danger
• Hazard Statements: H290,H314
• Precautionary Statements: P234 - P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• 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