Chinese Japanese Germany Korea
ChemicalBook >> CAS DataBase List >>4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione

4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione

4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione Structure
4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione structure
CAS No.
720-94-5
Chemical Name:
4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione
Synonyms
4,4,4-TRIFLUORO-1-P-TOLYL-BUTANE-1,3-DIONE;1-(4-Methylphenyl)-4,4,4-Triflurobutane-1,3-Dione;4,4,4-TRIFLUORO-1-(4-METHYLPHENYL)BUTANE-1,3-DIONE;l-(4-methylphenyl)-4,4,4-trifluorobutane-1,3-dione;AKOS B007344;AKOS MSC-0332;Dione/Diketone;uoro-1-(4-methyL;ART-CHEM-BB B007344;Celecoxib impurities1094
CBNumber:
CB4148676
Molecular Formula:
C11H9F3O2
Molecular Weight:
230.18
MDL Number:
MFCD00517909
MOL File:
720-94-5.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-04-24 14:58:21
Product description Number Pack Size Price
4,4,4-Trifluoro-1-(4-methylphenyl)butane-1,3-dione Aldrich VBP00104 1g $114
4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione >98.0%(GC) T2997 5g $46
4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione >98.0%(GC) T2997 25g $120
1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione M320635 5g $240
1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione M320635 2g $135
More product size
Request For Quotation

4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione Properties

Melting point 44-46°C
Boiling point 269.9±35.0 °C(Predicted)
Density 1.252±0.06 g/cm3(Predicted)
vapor pressure 0.633Pa at 20℃
storage temp. Keep in dark place,Sealed in dry,Room Temperature
solubility Chloroform (Sparingly), Methanol (Slightly)
pka 5.91±0.25(Predicted)
form Solid
color Off-White to Light Beige
Water Solubility 526.4mg/L at 20℃
InChI InChI=1S/C11H9F3O2/c1-7-2-4-8(5-3-7)9(15)6-10(16)11(12,13)14/h2-5H,6H2,1H3
InChIKey WRZMHTIRFOFFPY-UHFFFAOYSA-N
SMILES C(C1=CC=C(C)C=C1)(=O)CC(=O)C(F)(F)F
LogP 1.95 at 20℃
CAS DataBase Reference 720-94-5(CAS DataBase Reference)
FDA UNII 599J6Q8THK
UNSPSC Code 41116107
NACRES NA.24

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H315-H319-H335
Precautionary statements  P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs Respiratory system
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-36/37/39
WGK Germany  WGK 3
HazardClass  IRRITANT
HS Code  2914790090
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
NFPA 704
1
2 0

4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione price More Price(23)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich VBP00104 4,4,4-Trifluoro-1-(4-methylphenyl)butane-1,3-dione Aldrich 720-94-5 1g $114 2026-04-30 Buy
TCI Chemical T2997 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione >98.0%(GC) 720-94-5 5g $46 2026-04-30 Buy
TCI Chemical T2997 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione >98.0%(GC) 720-94-5 25g $120 2026-04-30 Buy
TRC M320635 1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione 720-94-5 5g $240 2021-12-16 Buy
TRC M320635 1-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione 720-94-5 2g $135 2021-12-16 Buy
Product number Packaging Price Buy
VBP00104 1g $114 Buy
T2997 5g $46 Buy
T2997 25g $120 Buy
M320635 5g $240 Buy
M320635 2g $135 Buy

4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione Chemical Properties,Uses,Production

Chemical Properties

Pale Yellow Solid

Uses

A Celecoxib (Celebrex) intermediate.

Flammability and Explosibility

Non flammable

Synthesis

Ethyl trifluoroacetate

383-63-1

4'-Methylacetophenone

122-00-9

4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione

720-94-5

To a 500 mL single-necked flask was added 200 mL of a solvent mixture of acetonitrile-isopropanol (1:1, v/v), 200 mmol (26.8 mL) of 4'-methylacetophenone (I) and 600 mmol (72 mL) of trifluoroacetic acid ethyl ester (II) were added sequentially, followed by the addition of 360 mmol of potassium carbonate with a particle size of 600 nm. The reaction mixture was stirred at 40°C for 24 hours. Upon completion of the reaction, the potassium carbonate was recovered by filtration along with the by-product potassium bicarbonate, which could be regenerated and used after high temperature treatment. The filtrate was distilled under reduced pressure to recover the solvent and unreacted raw materials for subsequent use. To the distillation residue, an equal volume of water was added and the pH was adjusted to 6 with 10% hydrochloric acid solution, followed by extraction with ethyl acetate (70 mL each time) for four times. The organic phases were combined, concentrated and freeze-crystallized to give a light yellow solid product, 4,4,4-trifluoro-1-(4-methylphenyl)-1,3-butanedione (III) 45.6 g in 99.08% yield.

References

[1] Patent: CN103951549, 2016, B. Location in patent: Paragraph 0008; 0027-0028
[2] Patent: CN107759519, 2018, A. Location in patent: Paragraph 0033-0035
[3] Journal of Medicinal Chemistry, 2007, vol. 50, # 18, p. 4444 - 4452
[4] Journal of Medicinal Chemistry, 1997, vol. 40, # 9, p. 1347 - 1365
[5] Patent: WO2005/49014, 2005, A1. Location in patent: Page/Page column 137

4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione Preparation Products And Raw materials

Raw materials

Trifluoroacetyl bromide Trifluoroacetyl chloride Perfluoroacetyl fluoride 2-AMINO-3-CHLORO-1,4-NAPHTHOQUINONE Ethyl trifluoroacetate
Trifluoroacetic acid Water 4'-Methylacetophenone Isopropyl alcohol Potassium carbonate

1of2

Preparation Products

N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib 5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid Celecoxib

4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione Suppliers

Global( 384)Suppliers
Supplier Tel Email Country ProdList Advantage
Henan Fengda Chemical Co., Ltd 		+86-371-86557731 +86-13613820652 info@fdachem.com China 20124 58
Hebei Zhuanglai Chemical Trading Co.,Ltd 		+8613343047651 admin@zlchemi.com China 3692 58
Capot Chemical Co.,Ltd. 		+86-（0）57185586718; +8613336195806 sales@capot.com China 29640 60
Henan Tianfu Chemical Co.,Ltd. 		+86-0371-55170693 +86-19937530512 info@tianfuchem.com China 21590 55
Fluoropharm Co., Ltd. 		+86-0571-85586753 +86-13336034509 sales@fluoropharm.com China 1445 60
career henan chemical co 		+86-0371-86658258 +8613203830695 sales@coreychem.com China 29819 58
Shanghai Arbor Chemical Co., Ltd. 		021-60451682 act@arborchemical.com CHINA 904 58
Standardpharm Co. Ltd. 		86-714-3992388 overseasales1@yongstandards.com United States 14332 58
Shanghai Longyu Biotechnology Co., Ltd. 		+8619521488211 info@longyupharma.com China 2542 58
Alchem Pharmtech,Inc. 		8485655694 sales@alchempharmtech.com United States 63687 58
Supplier Advantage
Henan Fengda Chemical Co., Ltd 		58
Hebei Zhuanglai Chemical Trading Co.,Ltd 		58
Capot Chemical Co.,Ltd. 		60
Henan Tianfu Chemical Co.,Ltd. 		55
Fluoropharm Co., Ltd. 		60
career henan chemical co 		58
Shanghai Arbor Chemical Co., Ltd. 		58
Standardpharm Co. Ltd. 		58
Shanghai Longyu Biotechnology Co., Ltd. 		58
Alchem Pharmtech,Inc. 		58

View Lastest Price from 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione pictures 2026-04-30 l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione
720-94-5
 0.99 RongNa Biotechnology Co.,Ltd
4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione pictures 2025-09-25 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione
720-94-5
 US $34.00-1.20 / kg 1kg 99% g-kg-tons, free sample is available Henan Fengda Chemical Co., Ltd
L- (4-Methylphenyl) -4, 4, 4-Trifluorobutane-1, 3-Dione pictures 2025-04-15 L- (4-Methylphenyl) -4, 4, 4-Trifluorobutane-1, 3-Dione
720-94-5
 US $180.00 / kg 1kg 99% 20ton Hebei Zhuanglai Chemical Trading Co.,Ltd

4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione Spectrum

4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione(720-94-5)1HNMR

720-94-5(4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione)Related Search:

4-Bromobenzotrifluoride Methylparaben 3-Fluorobenzotrifluoride 2-Methylbenzotrifluoride Tribenuron methyl
Acetoacetamide Dimethylglyoxime 4-Fluorobenzotrifluoride Methyl acrylate Methyl salicylate
Methanol PHENYL VALERATE 1,4-Bis(trifluoromethyl)-benzene 2,3-Butanedione 3-Aminobenzotrifluoride
N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib Benzotrifluoride Celecoxib 2-Methyl Analog

1of4

4-Trifluoro-1-(4-methylphenyl)-1,3-butanedione 4,4,4-Trifluoro-1-(4-Methylphenyl)-1,3-Butanedione 1-(4-Methylphenyl)-4,4,4-Triflurobutane-1,3-Dione 3-(4-METHYLBENZOYL)-1,1,1-TRIFLUOROACETONE 1-(4-METHYLPHENYL)-4,4,4-TRIFLUOROBUTANE-1,3-DIONE AKOS MSC-0332 AKOS B007344 4,4,4-TRIFLUORO-1-P-TOLYL-BUTANE-1,3-DIONE 4,4,4-TRIFLUORO-1-(4-METHYLPHENYL)BUTANE-1,3-DIONE 4-(4'-METHYLPHENYL)-1,1,1-TRIFLUORO-2,4-BUTANEDIONE ART-CHEM-BB B007344 l-(4-methylphenyl)-4,4,4-trifluorobutane-1,3-dione (1,3-Butanedione-4, 4,4-trifluoro 1-(4-Methylphenyl)-1-P-tolyl 1,1,1-Trifluoro-4-(4-methylphenyl)-2,4-butanedione 4-(4-Methylphenyl)-1,1,1-trifluorobutane-2,4-dione 4,4,4-Trifluoro-1-p-tolyl -1,3-butanedione 4-Methyl-1-(4,4,4-Trifluoro-3-oxobutanoyl)benzene L-(4-MethylPhenyl)-4,4,4-TrifluoroButane-1,3-Dione,Celicoxib 4,4,4-trifluoro-1-(4-methylphenyl)-1,3-butanedione(intermediate of celecoxib) 1-(4-METHYLPHENYL)-4,4,4-TRIFLUOROBUANE-1, (4-Methylbenzoyl)trifluoroacetone 1,3-Butanedione,4,4,4-trifluoro-1-(4-Methylphenyl)- 1,3-Butanedione, 4,4,4-trifluoro-1-p-tolyl- 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione Benzene, 1-(3-trifluoromethyl-3-hydroxypropenoyl)-4-methyl- Celecoxib Related Compound 4 4,4,4-Trifluoro-1-(4-Methylphenyl)-1,3-Butanediol uoro-1-(4-methyL 1-(p-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione l-(4-Methylphenyl)-4/4/4-trifluorobutane-l/3* dione 4,4.4-trifluoro-l-(4-methylphenyl)butane-l,3-dione [Diketone] Celecoxib impurities1094 1-(4-Methylphenyl)-4,4,4-Trifluoro-Butane-1,3-Dione (CXB-I) 720-94-5 l-(4-Methylphenyl)-4,4,4-trifluorobutane-1,3-dione 4, 4, 4-Trifluor〇-1-(4-methylphenyl)-1，3-butanedione 1-(4-Methyl Phenyl)-4,4,4-Trifluorobutane-3-Dione (Diketone) 1-( 4-Methy-Phenyt)-4.4,4 Trifluorobutane-1,3-Dione 1-(4-Methylphenyl)-4,4,4-Trifluoro-Butane-1,3-Dione (Dione/Diketone) Celecoxib Related Compound 4 4,4,4-trifluoro-1-p-tolylbutane-1,3-dione Dione/Diketone TrifluoroButane-1,3-Dione 1-(4-Methylphenyl)-4,4,4-Trifluorobutane-1,3-Dione 4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione 1-(4-METHYL PHENYL)-4,4,4-TRIFLUROBUTANE-3-DIONE???(DIKETONE) 720-94-5 C11H9O2F3 API intermediates (intermediate of celecoxib) Aromatics Compounds Osteoarthritis and Rheumatoid Arthritis Aromatics Intermediates & Fine Chemicals Pharmaceuticals pharmaceutical 720-94-5