4-Phenylazobenzoyl chloride

Base Information

• Chemical Name: 4-Phenylazobenzoyl chloride
• CAS No.: 104-24-5
• Molecular Formula: C13H9ClN2O
• Molecular Weight: 244.68
• Hs Code.: 29270000
• European Community (EC) Number: 203-188-4
• NSC Number: 7955
• DSSTox Substance ID: DTXSID0059293
• Nikkaji Number: J1.148.129I,J148.688H
• Mol file: 104-24-5.mol

Synonyms:4-phenylazobenzoyl chloride;para-phenylazobenzoyl chloride

Chemical Property of 4-Phenylazobenzoyl chloride

Chemical Property:

• Appearance/Colour: orange-red crystalline powder
• Vapor Pressure: 4.66E-06mmHg at 25°C
• Melting Point: 94-97ºC
• Refractive Index: 1.602
• Boiling Point: 382.6 °C at 760 mmHg
• Flash Point: 148.2 °C
• PSA: 41.79000
• Density: 1.21g/cm³
• LogP: 4.48100
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 244.0403406
• Heavy Atom Count: 17
• Complexity: 279

Purity/Quality:

97% ^*data from raw suppliers

4-Phenylazobenzoyl Chloride >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)Cl
• Uses: 4-(Phenylazo)benzoyl chloride was used in the synthesis of polyacetylene derivatives.

Technology Process of 4-Phenylazobenzoyl chloride

There total 3 articles about 4-Phenylazobenzoyl chloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

4-(2-phenyldiazen-1-yl)benzoic acid (1562-93-2) → 4-phenylazobenzoyl chloride (104-24-5)

Guidance literature:

With thionyl chloride; at 80 ℃; for 2h;

DOI:10.3762/bjoc.15.74

Reference yield:

4-amino-benzoic acid (150-13-0,159246-81-8,8014-65-1) → 4-phenylazobenzoyl chloride (104-24-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol; acetic acid

2: benzene; thionyl chloride

With thionyl chloride; ethanol; acetic acid; benzene;

Reference yield:

Nitrosobenzene (586-96-9) → 4-phenylazobenzoyl chloride (104-24-5)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol; acetic acid

2: benzene; thionyl chloride

With thionyl chloride; ethanol; acetic acid; benzene;

upstream raw materials:

4-(2-phenyldiazen-1-yl)benzoic acid

4-amino-benzoic acid

Nitrosobenzene

Downstream raw materials:

9-(4-Phenylazo-benzoyloxy)-3.7-dimethyl-1t-(2.2.6-trimethyl-cyclohexen-⁽⁶⁾-yl)-nonatetraen-(1.3t.5t.7t)

O¹,O²-isopropylidene-O³,O⁵-dimethyl-O⁶-(4-phenylazo-benzoyl)-α-D-glucofuranose

(+)-2,3-Bis-O-<4-(phenylazo)benzoyl>weinsaeure-diethylester

(-)-2-O-<4-(Phenylazo)benzoyl>weinsaeure-diethylester