P-Nitrobenzoyl Chloride

CAS Number: 122-04-3

Molecular Formula: C7H4ClNO3

Purity: P-Nitrobenzoyl Chloride 98% purity

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About P-Nitrobenzoyl Chloride

P-Nitrobenzoyl Chloride (CAS 122-04-3) is a critical building block in the API intermediates market, primarily utilized for the synthesis of complex nitro-substituted aromatic compounds and radiopharmaceuticals for neuroimaging where high purity fine chemicals (Pharma/API purity 99% | General Industry purity 98%) are e...

P-Nitrobenzoyl Chloride Specifications

CAS Number

122-04-3

Molecular Formula

C7H4ClNO3

Molecular Weight

185.56 g/mol

IUPAC Name

4-nitrobenzoyl chloride

Canonical SMILES

C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-]

InChI Key

SKDHHIUENRGTHK-UHFFFAOYSA-N

InChI

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

PubChem CID

8502

EINECS Number

204-517-4

MDL Number

MFCD00007345

HSN No

29163990

CAS Number

122-04-3

Molecular Formula

C7H4ClNO3

Molecular Weight

185.56 g/mol

IUPAC Name

4-nitrobenzoyl chloride

Canonical SMILES

C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-]

InChI Key

SKDHHIUENRGTHK-UHFFFAOYSA-N

InChI

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

PubChem CID

8502

EINECS Number

204-517-4

MDL Number

MFCD00007345

HSN No

29163990

Molecular Weight

185.56 g/mol

Purity

P-Nitrobenzoyl Chloride 98% purity

Melting Point

70-75 °C

Boiling Point

202-205 °C at 105 mmHg

Freezing point

71 - 74 °C

Flash Point

102 °C (closed cup)

Density

1.53 g/cm3

pKa

Precise Quality

122-04-3

PSA

62.9 Å²

logP

2.9

Average mass

185.56 g/mol

Monoisotopic mass

184.9879707 Da

Molar mass

185.56 g/mol

Vapour pressure

0.00442 mmHg at 25 °C

Precautionary Statement Codes

P234, P260, P280, P303+P361+P353, P304+P340+P310, and P305+P351+P338

Hazard Classes and Categories

Skin Corr. 1B (100%) Met. Corr. 1 (96.3%)

Pharmaceutical Intermediate

An important building block utilized as a precursor in the synthesis of various medicinal compounds, active pharmaceutical ingredients, and essential drugs like folic acid and procaine hydrochloride

Organic Synthesis Reagent

A versatile acylating agent employed in Michael additions, Henry reactions, O-alkylation, and cycloaddition reactions to introduce nitrobenzoyl groups into complex organic molecules

HPLC Derivatization Reagent

A specialized reagent used for the derivatization of hydroxy and amino groups to improve UV detection and quantification of compounds such as polyhydric alcohols and digitalis glycosides during high-performance liquid chromatography

Dye Intermediate

A critical starting material used in the production of specialized dyes, organic pigments, and color developers for the textile and information industries.