3-(Trifluoromethyl)benzoyl chloride

Base Information

Chemical Name:3-(Trifluoromethyl)benzoyl chloride
CAS No.:2251-65-2
Molecular Formula:C8H4ClF3O
Molecular Weight:208.567
Hs Code.:29163990
European Community (EC) Number:218-844-5
NSC Number:88307
UNII:L4BVG73ZFZ
DSSTox Substance ID:DTXSID2062294
Nikkaji Number:J213.144G
Wikidata:Q72511733
Mol file:2251-65-2.mol

Synonyms:3-(Trifluoromethyl)benzoyl chloride;2251-65-2;Benzoyl chloride, 3-(trifluoromethyl)-;m-(Trifluoromethyl)benzoyl chloride;m-Trifluoromethylbenzoyl chloride;alpha,alpha,alpha-Trifluoro-m-toluoyl chloride;3-trifluoromethylbenzoyl chloride;MFCD00000680;L4BVG73ZFZ;m-Toluoyl chloride, alpha,alpha,alpha-trifluoro-;EINECS 218-844-5;NSC 88307;NSC-88307;3-Trifluoromethyl-benzoyl chloride;starbld0034532;UNII-L4BVG73ZFZ;alpha,alpha,alpha-Trifluoro-m-tolyl Chloride;SCHEMBL19310;3-trifluoromethylbenzoylchloride;DTXSID2062294;3-(Trifuormethyl)-benzoylchlorid;RUJYJCANMOTJMO-UHFFFAOYSA-;m-trifluoromethyl benzoyl chloride;m-trifluoromethyl-benzoyl chloride;3-tri-fluoromethylbenzoyl chloride;3-trifluoromethyl benzoyl chloride;a,a,a-Trifluoro-m-toluoyl chloride;3-(trifiuoromethyl)benzoyl chloride;NSC88307;3-(trifluoromethyl)-benzoyl chloride;AKOS009156910;AM61431;3-(trifluoromethyl)benzoic acid chloride;AC-25993;BP-13007;PS-10748;3-(Trifluoromethyl)benzoyl chloride, 98%;FT-0613934;T1335;.alpha.,.alpha.-Trifluoro-m-toluoyl chloride;3-(trifluoromethyl)-1-benzenecarbonyl chloride;A20106;m-Toluoyl chloride,.alpha.,.alpha.-trifluoro-;W-107469;.alpha.,.alpha.,.alpha.-Trifluoro-m-toluoyl chloride;F2190-0082;m-Toluoyl chloride, .alpha.,.alpha.,.alpha.-trifluoro-

Suppliers and Price of 3-(Trifluoromethyl)benzoyl chloride

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

TCI Chemical
3-(Trifluoromethyl)benzoyl Chloride >98.0%(GC)(T)
5g
$ 13.00

TCI Chemical
3-(Trifluoromethyl)benzoyl Chloride >98.0%(GC)(T)
25g
$ 42.00

SynQuest Laboratories
3-(Trifluoromethyl)benzoyl chloride 97%
100 g
$ 69.00

SynQuest Laboratories
3-(Trifluoromethyl)benzoyl chloride 97%
25 g
$ 21.00

Sigma-Aldrich
3-(Trifluoromethyl)benzoyl chloride 98%
25ml
$ 157.00

Sigma-Aldrich
3-(Trifluoromethyl)benzoyl chloride 98%
5ml
$ 56.10

Oakwood
3-(Trifluoromethyl)benzoyl chloride 98%
500g
$ 280.00

Oakwood
3-(Trifluoromethyl)benzoyl chloride 98%
100g
$ 63.00

Oakwood
3-(Trifluoromethyl)benzoyl chloride 98%
5g
$ 11.00

Oakwood
3-(Trifluoromethyl)benzoyl chloride 98%
1g
$ 10.00

Total 88 raw suppliers

Chemical Property of 3-(Trifluoromethyl)benzoyl chloride

Chemical Property:

Appearance/Colour:clear light yellow liquid
Vapor Pressure:0.000444mmHg at 25°C
Refractive Index:n20/D 1.477(lit.)
Boiling Point:185.5 °C at 760 mmHg
Flash Point:75.5 °C
PSA：17.07000
Density:1.396 g/cm³
LogP:3.08440
Sensitive.:Lachrymatory
Water Solubility.:decomposes
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:207.9902769
Heavy Atom Count:13
Complexity:202

Purity/Quality:

99% ^*data from raw suppliers

3-(Trifluoromethyl)benzoyl Chloride >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

Pictogram(s): C
Hazard Codes:C
Statements: 34-37-29
Safety Statements: 26-36/37/39-45-8

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C(F)(F)F)C(=O)Cl
Uses 3-(Trifluoromethyl)benzoyl chloride has been used in the preparation of intermediates, required for synthesis of C-2 and C-3 substituted pyrazolo[1,5-a]pyrimidines.

Technology Process of 3-(Trifluoromethyl)benzoyl chloride

There total 9 articles about 3-(Trifluoromethyl)benzoyl chloride 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: 100.0%

: 454-92-2
3-(trifluoromethyl)benzoic acid

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

Guidance literature:: 3-(trifluoromethyl)benzoic acid; With N,N-dimethyl-formamide; In dichloromethane; at 0 ℃; for 0.0833333h;

With oxalyl dichloride; In dichloromethane; at 20 ℃; for 12h;
DOI:10.1021/jacs.0c13415

Reference yield: 87.0%

: 349-76-8
3'-(trifluoromethyl)acetophenone

: 2251-65-2
3-(Trifluoromethyl)benzoyl chloride

Guidance literature:: 3'-(trifluoromethyl)acetophenone; With pyridine; disulfur dichloride; In chlorobenzene; at 20 ℃; for 2h;

With sulfuryl dichloride; In chlorobenzene; at 20 - 132 ℃; for 15.5h;