Isopropyl trichloroacetate

Base Information

Chemical Name:Isopropyl trichloroacetate
CAS No.:3974-99-0
Molecular Formula:C5H7 Cl3 O2
Molecular Weight:205.468
Hs Code.:
European Community (EC) Number:223-604-8
NSC Number:50959
UNII:495Q31K6FH
DSSTox Substance ID:DTXSID1042073
Nikkaji Number:J43.530I
Wikidata:Q27259236
Mol file:3974-99-0.mol

Synonyms:Isopropyl trichloroacetate;3974-99-0;propan-2-yl 2,2,2-trichloroacetate;1-Methylethyl trichloroacetate;Caswell No. 513;Acetic acid, trichloro-, 1-methylethyl ester;Acetic acid, trichloro-, isopropyl ester;Trichloroaetic acid isopropyl ester;EINECS 223-604-8;NSC 50959;EPA Pesticide Chemical Code 076802;UNII-495Q31K6FH;AI3-32469;495Q31K6FH;trichloro-acetic acid isopropyl ester;Acetic acid, 2,2,2-trichloro-, 1-methylethyl ester;NSC-50959;C5H7Cl3O2;SCHEMBL1707076;DTXSID1042073;NSC50959;Trichloroacetic acid, isopropyl ester;Trichloroacetic acid 1-methylethyl ester;Q27259236;Acetic acid, trichloro-, isopropyl ester (6CI,7CI,8CI)

Suppliers and Price of Isopropyl trichloroacetate

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

American Custom Chemicals Corporation
ISOPROPYL TRICHLOROACETATE 95.00%
5MG
$ 495.62

Total 8 raw suppliers

Chemical Property of Isopropyl trichloroacetate

Chemical Property:

Vapor Pressure:0.943mmHg at 25°C
Refractive Index:1.4428 (estimate)
Boiling Point:179.4°Cat760mmHg
Flash Point:63.1°C
PSA：26.30000
Density:1.377g/cm³
LogP:2.30820
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:203.951163
Heavy Atom Count:10
Complexity:127

Purity/Quality:

99% ^*data from raw suppliers

ISOPROPYL TRICHLOROACETATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)OC(=O)C(Cl)(Cl)Cl

Technology Process of Isopropyl trichloroacetate

There total 6 articles about Isopropyl trichloroacetate 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:

: 67-63-0,8013-70-5
isopropyl alcohol

: 76-03-9
trichloroacetic acid

: 3974-99-0
trichloroacetic acid isopropyl ester

Guidance literature:: DOI:10.1021/ja01857a036

Reference yield:

: 187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4
propene

: 76-03-9
trichloroacetic acid

: 3974-99-0
trichloroacetic acid isopropyl ester

Guidance literature:: With boron trifluoride; at 60 - 70 ℃; unter geringem Ueberdruck;
DOI:10.1021/ja01327a048

Reference yield:

: 116-16-5
1,1,1,3,3,3-hexachloro-propan-2-one

: 67-63-0,8013-70-5
isopropyl alcohol

: 3974-99-0
trichloroacetic acid isopropyl ester

Guidance literature:: With N,N-dimethyl-formamide; at 55 ℃; for 48h; Product distribution; other times, other temperatures, addition of equimolar amount of 1-propanol;
DOI:10.1021/jo00330a028