BENZOYL CHLORIDE, m-(BIS(2-CHLOROETHYL)AMINO)-

Base Information

• Chemical Name: BENZOYL CHLORIDE, m-(BIS(2-CHLOROETHYL)AMINO)-
• CAS No.: 24813-11-4
• Molecular Formula: C11H12 Cl3 N O
• Molecular Weight: 280.581
• NSC Number: 240369
• UNII: ZW5YW7YTH9
• DSSTox Substance ID: DTXSID70179510
• Nikkaji Number: J67.950J
• Wikidata: Q83050053
• Mol file: 24813-11-4.mol

Synonyms:24813-11-4;BENZOYL CHLORIDE, m-(BIS(2-CHLOROETHYL)AMINO)-;m-(Bis(2-chloroethyl)amino)benzoyl chloride;ZW5YW7YTH9;NSC 240369;BRN 2810542;3-[bis(2-chloroethyl)amino]benzoyl chloride;Benzoyl chloride, 3-(bis(2-chloroethyl)amino)-;NSC-240369;3-(Bis(2-chloroethyl)amino)benzoyl chloride;Benzoyl chloride, 3-[bis(2-chloroethyl)amino]-;Benzoyl chloride, m-[bis(2-chloroethyl)amino]-;NSC240369;UNII-ZW5YW7YTH9;SCHEMBL7474438;DTXSID70179510;LS-42591

Chemical Property of BENZOYL CHLORIDE, m-(BIS(2-CHLOROETHYL)AMINO)-

Chemical Property:

• Vapor Pressure: 2.47E-06mmHg at 25°C
• Boiling Point: 391.4°Cat760mmHg
• Flash Point: 190.5°C
• Density: 1.338g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 278.998447
• Heavy Atom Count: 16
• Complexity: 219

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N(CCCl)CCCl)C(=O)Cl

Technology Process of BENZOYL CHLORIDE, m-(BIS(2-CHLOROETHYL)AMINO)-

There total 2 articles about BENZOYL CHLORIDE, m-(BIS(2-CHLOROETHYL)AMINO)- 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:

3-N,N-bis(2-chloroethyl)aminobenzoic acid (3085-98-1) → 3-N,N-bis(2-chloroethyl)aminobenzoyl chloride (24813-11-4)

Guidance literature:

With thionyl chloride; benzene;

Reference yield:

→ 3-N,N-bis(2-chloroethyl)aminobenzoyl chloride (24813-11-4)

Guidance literature:

m--benzoesaeure, SOCl2, Bzl.;

DOI:10.1021/jm00336a018

Reference yield: 64.0%

1H-2-(1-methyl-4-nitropyrrol-2-yl)benzimidazole-5-[N-(2-amidinoethyl)]carboxamide + 3-N,N-bis(2-chloroethyl)aminobenzoic acid (3085-98-1) + 3-N,N-bis(2-chloroethyl)aminobenzoyl chloride (24813-11-4) → 1H-2-[4-[3-[N,N-bis(2-chloroethyl)amino]benzoylamino]-1-methylpyrrol-2-yl]benzimidazole-5-[N-(2-amidinoethyl)]carboxamide hydrochloride

Guidance literature:

With hydrogenchloride; thionyl chloride; triethylamine; palladium-carbon; In methanol; N,N-dimethyl-formamide; benzene;

upstream raw materials:

3-N,N-bis(2-chloroethyl)aminobenzoic acid

Downstream raw materials:

m-N-(Dichloraethylamino)-benzoesaeureamid

N-{3-[bis-(2-chloro-ethyl)-amino]-benzoyl}-glycine ethyl ester

C₂₂H₂₄Cl₄N₂O₃

3β-hydroxy-13α-amino-13,17-seco-5-androsten-17-oic-13,17-lactam m-N,N-bis(2-chloroethyl)aminobenzoate

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