N,N-Bis(2-bromoethyl)aniline

Base Information

• Chemical Name: N,N-Bis(2-bromoethyl)aniline
• CAS No.: 2045-19-4
• Molecular Formula: C10H13 Br2 N
• Molecular Weight: 307.028
• Hs Code.: 2921420090
• NSC Number: 260404
• UNII: VPA4GEU4QG
• DSSTox Substance ID: DTXSID50174402
• Nikkaji Number: J55.201A
• Wikidata: Q83044480
• ChEMBL ID: CHEMBL19482
• Mol file: 2045-19-4.mol

Synonyms:N,N-Bis(2-bromoethyl)aniline;2045-19-4;Benzenamine, N,N-bis(2-bromoethyl)-;ANILINE, N,N-BIS(2-BROMOETHYL)-;NSC 260404;BRN 0779106;NSC-260404;C10H13Br2N;NSC260404;VPA4GEU4QG;N(CCBr)(CCBr)c1ccccc1;WLN: E2NR&2E;CHEMBL19482;Aniline,N-bis(2-bromoethyl)-;SCHEMBL11056830;n,n-bis[2-bromo-ethyl] aniline;C10-H13-Br2-N;DTXSID50174402;N,N-Bis(2-bromoethyl)benzenamine;Benzenamine,N-bis(2-bromoethyl)-;MFCD00091126;LS-19587

Chemical Property of N,N-Bis(2-bromoethyl)aniline

Chemical Property:

• Vapor Pressure: 0.000148mmHg at 25°C
• Melting Point: 52-53 °C(Solv: methanol (67-56-1))
• Refractive Index: 1.6300 (estimate)
• Boiling Point: 332.2°C at 760 mmHg
• PKA: 4.35±0.50(Predicted)
• Flash Point: 154.7°C
• PSA: 3.24000
• Density: 1.643g/cm³
• LogP: 3.28280
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 306.93943
• Heavy Atom Count: 13
• Complexity: 118

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N(CCBr)CCBr

Technology Process of N,N-Bis(2-bromoethyl)aniline

There total 7 articles about N,N-Bis(2-bromoethyl)aniline 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: 78.0%

2,2'-(phenylimino)bis[ethanol] (120-07-0) → N,N-bis(2-bromoethyl)phenylamine (2045-19-4)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 0 - 20 ℃; for 4.33333h; Inert atmosphere;

DOI:10.1021/ic201213c

Reference yield: 78.0%

N,N-bis<2-<(methylsulfonyl)oxy>ethyl>aniline (22964-38-1) → N,N-bis(2-bromoethyl)phenylamine (2045-19-4)

Guidance literature:

With sodium bromide; In N,N-dimethyl-formamide; at 80 ℃; for 0.333333h;

DOI:10.1021/jm00163a019

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + ethylene dibromide (106-93-4) + aniline (62-53-3) → N-phenyl-2-oxazolidinone (703-56-0) + N-phenyl-2-bromoethylamine (699-11-6) + N,N'-diphenylethylenediamine (150-61-8) + N,N-bis(2-bromoethyl)phenylamine (2045-19-4)

Guidance literature:

With caesium carbonate; at 100 ℃; for 12h; under 7500.75 Torr; Autoclave;

DOI:10.1039/d1cy01298c

upstream raw materials:

4-Phenylmorpholine

2,2'-(phenylimino)bis[ethanol]

N,N-bis<2-<(methylsulfonyl)oxy>ethyl>aniline

aniline

Downstream raw materials:

1,4-diphenyl-[1,4]azarsinane

N,N-bis-(2-bromo-ethyl)-4-thiocyanato-aniline

4-{4-[bis-(2-bromo-ethyl)-amino]-phenylazo}-N-thiazol-2-yl-benzenesulfonamide

4-{4-[bis-(2-bromo-ethyl)-amino]-phenylazo}-N-(3,4-dimethyl-isoxazol-5-yl)-benzenesulfonamide