Benzenecarbohydrazonoyl chloride, N-(4-bromophenyl)-

Base Information

• Chemical Name: Benzenecarbohydrazonoyl chloride, N-(4-bromophenyl)-
• CAS No.: 41626-19-1
• Molecular Formula: C13H10BrClN2
• Molecular Weight: 309.593
• Hs Code.: 2928000090
• Mol file: 41626-19-1.mol

Synonyms:BENZOYL CHLORIDE, (p-BROMOPHENYL)HYDRAZONE;BRN 0650146;Benzenecarbohydrazonoyl chloride, N-(4-bromophenyl)-;Benzoyl chloride, (4-bromophenyl)hydrazone;41626-19-1;LS-42593

Chemical Property of Benzenecarbohydrazonoyl chloride, N-(4-bromophenyl)-

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 386.549°C at 760 mmHg
• Flash Point: 187.579°C
• PSA: 24.39000
• Density: 1.432g/cm³
• LogP: 4.53460
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 307.97159
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

BENZOYL CHLORIDE (P-BROMOPHENYL)HYDRAZONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)Br)Cl
• Isomeric SMILES: C1=CC=C(C=C1)/C(=N/NC2=CC=C(C=C2)Br)/Cl

Technology Process of Benzenecarbohydrazonoyl chloride, N-(4-bromophenyl)-

There total 9 articles about Benzenecarbohydrazonoyl chloride, N-(4-bromophenyl)- 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: 51.0%

N'-(p-bromophenyl)benzohydrazide (71315-63-4) → chloro(phenyl)methanone p-bromophenylhydrazone (41626-19-1)

Guidance literature:

With phosphorus pentachloride; In tetrachloromethane; for 4h; Heating;

Reference yield:

benzaldehyde 4-bromophenylhydrazone (16917-43-4) → chloro(phenyl)methanone p-bromophenylhydrazone (41626-19-1)

Guidance literature:

With N-chloro-succinimide; dimethylsulfide; In dichloromethane; at -78 - 20 ℃; for 4h;

DOI:10.1021/ol303097j

Reference yield:

(4-bromophenyl)hydrazine (589-21-9) → chloro(phenyl)methanone p-bromophenylhydrazone (41626-19-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: thionyl chloride / toluene / Reflux

1.2: 0 - 20 °C

2.1: triphenylphosphine / acetonitrile; tetrachloromethane

With thionyl chloride; triphenylphosphine; In tetrachloromethane; toluene; acetonitrile;

DOI:10.1021/acs.joc.8b00155

upstream raw materials:

N'-(p-bromophenyl)benzohydrazide

benzoyl chloride

(4-bromophenyl)hydrazine

benzaldehyde 4-bromophenylhydrazone

Downstream raw materials:

tert-butyl 2'-(4-bromophenyl)-4'-tert-butyl-2-oxo-5'-phenyl-2',4'-dihydrospiro[indoline-3,3'-pyrazole]-1-carboxylate