5-Chloro-6-(trifluoromethyl)-2,4(1H,3H)-Pyrimidinedione

Base Information

Chemical Name:5-Chloro-6-(trifluoromethyl)-2,4(1H,3H)-Pyrimidinedione
CAS No.:85730-40-1
Molecular Formula:C₅H₂ClF₃N₂O₂
Molecular Weight:214.531
Hs Code.:2933599090
NSC Number:58566
DSSTox Substance ID:DTXSID20289012
Wikidata:Q82026161
Mol file:85730-40-1.mol

Synonyms:85730-40-1;5-chloro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;5-Chloro-6-(trifluoromethyl)-2,4(1H,3H)-Pyrimidinedione;5-chloro-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione;NSC58566;DTXSID20289012;NSC-58566;SB60036;CS-0045819;FT-0706836;F79843

Suppliers and Price of 5-Chloro-6-(trifluoromethyl)-2,4(1H,3H)-Pyrimidinedione

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

Crysdot
5-Chloro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione 95+%
1g
$ 880.00

Chemenu
5-chloro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione 95%
1g
$ 830.00

American Custom Chemicals Corporation
5-CHLORO-6-(TRIFLUOROMETHYL)-2,4(1H,3H)-PYRIMIDINEDIONE 95.00%
5MG
$ 500.10

Acrotein
5-Chloro-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione 97%
0.5g
$ 500.00

Acrotein
5-Chloro-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione 97%
0.25g
$ 325.00

Total 13 raw suppliers

Chemical Property of 5-Chloro-6-(trifluoromethyl)-2,4(1H,3H)-Pyrimidinedione

Chemical Property:

Vapor Pressure:7.23E-07mmHg at 25°C
Boiling Point:396.9°Cat760mmHg
Flash Point:193.8°C
PSA：65.72000
Density:1.73g/cm³
LogP:0.73540
Storage Temp.:2-8°C
XLogP3:0.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:213.9756895
Heavy Atom Count:13
Complexity:309

Purity/Quality:

97% ^*data from raw suppliers

5-Chloro-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1(=C(NC(=O)NC1=O)C(F)(F)F)Cl

Technology Process of 5-Chloro-6-(trifluoromethyl)-2,4(1H,3H)-Pyrimidinedione

There total 4 articles about 5-Chloro-6-(trifluoromethyl)-2,4(1H,3H)-Pyrimidinedione 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: 95.0%

: 93669-60-4
5-Chloro-2-methoxy-4-N-methylanilino-6-trifluoromethylpyrimidine

: 85730-40-1
5-Chloro-6-trifluoromethyluracil

Guidance literature:: With hydrogenchloride; for 20h; Product distribution; Heating;

Reference yield: 88.0%

: 672-45-7
6-Trifluoromethyluracil

: 85730-40-1
5-Chloro-6-trifluoromethyluracil

Guidance literature:: With sulfuryl dichloride; iron(III) chloride; In acetic anhydride; acetic acid;
DOI:10.1002/jhet.5570200145

Reference yield:

: 368-54-7
6-trifluoromethyl-4-hydroxy-2-mercaptopyrimidine

: 85730-40-1
5-Chloro-6-trifluoromethyluracil

Guidance literature:: Multi-step reaction with 3 steps

1: 87 percent / NaOH / H₂O / 1) RT, 3 h; 2) reflux, 5 min

2: 79 percent / 10 percent HCl / 8 h / Heating

3: 88 percent / sulfuryl chloride / FeCl₃ / acetic acid; acetic anhydride

With hydrogenchloride; sodium hydroxide; sulfuryl dichloride; iron(III) chloride; In water; acetic anhydride; acetic acid;
DOI:10.1002/jhet.5570200145