Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, methyl ester
• CAS No.: 18583-88-5
• Molecular Formula: C₁₃H₁₇Cl₂NO₂
• Molecular Weight: 290.189
• Hs Code.: 2922499990
• NSC Number: 356834
• UNII: 59RL5GBF67
• DSSTox Substance ID: DTXSID90940007
• Nikkaji Number: J48.068A
• Wikidata: Q82916577
• Mol file: 18583-88-5.mol

Synonyms:18583-88-5;methyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate;Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, methyl ester;p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, methyl ester;NSC-356834;3-(Bis(2-chloroethyl)amino)-p-toluic acid methyl ester;Benzoic acid, 3-[bis(2-chloroethyl)amino]-4-methyl-, methyl ester;3-[Bis(2-chloroethyl)amino]-p-toluic acid methyl ester;NSC 356834;BRN 3120563;NSC356834;59RL5GBF67;DTXSID90940007

Chemical Property of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, methyl ester

Chemical Property:

• Vapor Pressure: 1.14E-06mmHg at 25°C
• Boiling Point: 401.9°C at 760 mmHg
• Flash Point: 196.9°C
• PSA: 29.54000
• Density: 1.222g/cm³
• LogP: 3.06560
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 289.0636342
• Heavy Atom Count: 18
• Complexity: 257

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)OC)N(CCCl)CCCl

Technology Process of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, methyl ester

There total 1 articles about Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, methyl ester 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-chlor-ethyl>-amino)-4-methyl-benzoesaeure-methylester (18583-88-5)

Guidance literature:

3-(N,N-Bis-(2-chlor-ethyl)-amino)-4-methyl-benzoylchlorid, Me.;

DOI:10.1021/jm00301a043

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