ANILINE, N,N-BIS(2-CHLOROETHYL)-p-BUTOXY-

Base Information

Chemical Name:ANILINE, N,N-BIS(2-CHLOROETHYL)-p-BUTOXY-
CAS No.:27077-15-2
Molecular Formula:C14H21 Cl2 N O
Molecular Weight:290.23
Hs Code.:2922299090
NSC Number:43814
DSSTox Substance ID:DTXSID00181540
Nikkaji Number:J60.393G
Wikidata:Q83052165
ChEMBL ID:CHEMBL3246968
Mol file:27077-15-2.mol

Synonyms:NSC 43814;27077-15-2;N,N-Bis(2-chloroethyl)-p-butoxyaniline;ANILINE, N,N-BIS(2-CHLOROETHYL)-p-BUTOXY-;BRN 2978865;Aniline, p-butoxy-N,N-bis(2-chloroethyl)-;Benzenamine, 4-butoxy-N,N-bis(2-chloroethyl)-;p-N,N-Bis(2-chloroethyl)aminophenol butyl ether;C14H21Cl2NO;A 20445;CHEMBL3246968;SCHEMBL12421704;DTXSID00181540;NSC43814;NSC-43814;LS-19591

Suppliers and Price of ANILINE, N,N-BIS(2-CHLOROETHYL)-p-BUTOXY-

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of ANILINE, N,N-BIS(2-CHLOROETHYL)-p-BUTOXY-

Chemical Property:

Vapor Pressure:1.27E-06mmHg at 25°C
Boiling Point:400.5°C at 760 mmHg
PKA:5.09±0.50(Predicted)
Flash Point:196°C
PSA：12.47000
Density:1.13g/cm³
LogP:4.14950
XLogP3:4.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:289.1000197
Heavy Atom Count:18
Complexity:190

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCOC1=CC=C(C=C1)N(CCCl)CCCl

Technology Process of ANILINE, N,N-BIS(2-CHLOROETHYL)-p-BUTOXY-

There total 4 articles about ANILINE, N,N-BIS(2-CHLOROETHYL)-p-BUTOXY- 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: 53.0%

: 82894-30-2
p-N,N-bis(2-hydroxyethyl)aminophenyl butyl ether

: 27077-15-2
p-N,N-bis(2-chloroethyl)aminophenol butyl ether

Guidance literature:: With thionyl chloride; In ethanol; chloroform; 0 deg C -> room temperature;
DOI:10.1002/jps.2600710520

Reference yield:

: 2198-51-8
p-phenol

: 27077-15-2
p-N,N-bis(2-chloroethyl)aminophenol butyl ether

Guidance literature:: Multi-step reaction with 2 steps

1: 60.5 percent / KOH / methanol; H₂O / 24 h / Heating

2: 53 percent / SOCl₂ / CHCl₃; ethanol / 0 deg C -> room temperature

With potassium hydroxide; thionyl chloride; In methanol; ethanol; chloroform; water;
DOI:10.1002/jps.2600710520

Reference yield:

: 123-30-8
4-amino-phenol

: 27077-15-2
p-N,N-bis(2-chloroethyl)aminophenol butyl ether

Guidance literature:: Multi-step reaction with 3 steps

1: methanol / 9o deg C -> room temperature

2: 60.5 percent / KOH / methanol; H₂O / 24 h / Heating

3: 53 percent / SOCl₂ / CHCl₃; ethanol / 0 deg C -> room temperature

With potassium hydroxide; thionyl chloride; In methanol; ethanol; chloroform; water;
DOI:10.1002/jps.2600710520