1,1-Dibromo-3,3,3-trifluoroacetone

Product Name: 1,1-Dibromo-3,3,3-trifluoroacetone
CAS No.: 431-67-4
Chemical Name: 1,1-Dibromo-3,3,3-trifluoroacetone
Synonyms: 3,3-Dibromo-1,1,1-trifluoropropan-2-one;1,1-Dibromo-3,3,3-trifL;Dibromotrifluoroacetone;3,3-DIBROMO-1,1,1-TRIFLUOROACETONE;1,1-DIBROMO-3,3,3-TRIFLUOROACETONE;1,1,1-Trifluoro-3,3-dibroMoacetone;1,1-Dibromo-3,3,3-trifluoroacetone97%;1,1-Dibromo-3,3,3-trifluoroacetone 97%;3,3-Dibromo-1,1,1-trifluoroacetone 97%;3,3-DibroMo-1,1,1-trifluoro-2-propanone
CBNumber: CB6166672
Molecular Formula: C3HBr2F3O
Formula Weight: 269.84
MOL File: 431-67-4.mol

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1,1-Dibromo-3,3,3-trifluoroacetone Property

Boiling point:: 111 °C
Density: 1.98
refractive index: 1.4305
Flash point:: 111-113°C
storage temp.: Inert atmosphere,2-8°C
solubility: Chloroform
form: Light-Orange Liquid
color: Colorless to Red to Green
Water Solubility: Soluble in Chloroform. Not miscible or difficult to mix in water.
BRN: 636645
InChI: InChI=1S/C3HBr2F3O/c4-2(5)1(9)3(6,7)8/h2H
InChIKey: HEPPAPZASXFWTB-UHFFFAOYSA-N
SMILES: C(F)(F)(F)C(=O)C(Br)Br
CAS DataBase Reference: 431-67-4(CAS DataBase Reference)

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Safety

Hazard Codes: T,Xi
Risk Statements: 20/21/22-34
Safety Statements: 23-26-36/37/39-45
RIDADR: 2922
Hazard Note: Toxic
HazardClass: 8
PackingGroup: III
HS Code: 2914790090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H314Causes severe skin burns and eye damage

H318Causes serious eye damage

Precautionary statements

P301+P330+P331IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

TCI Chemical

Product number: D4004
Product name: 3,3-Dibromo-1,1,1-trifluoroacetone
Purity: >98.0%(GC)
Packaging: 5g
Price: $50
Updated: 2025/07/31

TCI Chemical

Product number: D4004
Product name: 3,3-Dibromo-1,1,1-trifluoroacetone
Purity: >98.0%(GC)
Packaging: 25g
Price: $148
Updated: 2025/07/31

TRC

Product number: D426150
Product name: 1,1-Dibromo-3,3,3-trifluoroacetone
Packaging: 1g
Price: $50
Updated: 2021/12/16

SynQuest Laboratories

Product number: 2117-B-03
Product name: 3,3-Dibromo-1,1,1-trifluoroacetone
Purity: 95%
Packaging: 5G
Price: $15
Updated: 2021/12/16

Oakwood

Product number: 001230
Product name: 1,1-Dibromo-3,3,3-trifluoroacetone
Packaging: 5g
Price: $18
Updated: 2021/12/16

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1,1-Dibromo-3,3,3-trifluoroacetone Chemical Properties,Usage,Production

Chemical Properties

Light-Orange Liquid

Uses

1,1-Dibromo-3,3,3-trifluoroacetone readily forms trifluoropyruvaldehyde hydrate in the presence of aqueous NaOAc, which is a useful intermediate, e.g. in the synthesis of a fused pyrazine derivative.

Uses

1,1-Dibromo-3,3,3-trifluoroaceton can be used in synthesis of 3,4-disubstituted pyrazole analogues as anti-tumor CDK inhibitors.

Synthesis

421-50-1

431-67-4

The general procedure for the synthesis of 3,3-dibromo-1,1,1-trifluoro-2-propanone from 1,1,1-trifluoroacetone is as follows: 1. 1,1,1-trifluoroacetone (50.0 g, 446.2 mmol) was dissolved in concentrated sulfuric acid (250 g). 2. bromine (Br2, 81.69 g, 510.1 mmol) was slowly added dropwise to the above solution over a period of 2 hours at room temperature, followed by stirring the reaction mixture overnight. 3. After completion of the reaction, bromine (Br2, 40.85 g, 255.6 mmol) was added again and stirring was continued overnight. 4. At the end of the reaction, the reaction mixture was allowed to stand in order to separate the two phases formed, followed by distillation of the lower phase to give 3,3-dibromo-1,1,1-trifluoroacetone as a yellow oil (10.37 g, 8.6% yield). 5. The structure of the product was determined by 1H-1DOX. 5. The structure of the product was confirmed by 1H NMR (270 MHz, CDCl3) with a chemical shift of 6.23 ppm (s, 1H). *The synthesis was previously reported in Rec. Trav. Chim. Pays-Bas 1995,114,97-102.

References

[1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 1051 - 1053
[2] Recueil des Travaux Chimiques des Pays-Bas, 1995, vol. 114, # 3, p. 97 - 102
[3] Patent: WO2005/58858, 2005, A1. Location in patent: Page/Page column 120
[4] Journal of the American Chemical Society, 1952, vol. 74, p. 3902
[5] Journal of Medicinal Chemistry, 1975, vol. 18, # 11, p. 1106 - 1110

1,1-Dibromo-3,3,3-trifluoroacetone Preparation Products And Raw materials

Raw materials

Preparation Products

7-BROMO-3-TRIFLUOROMETHYL-IMIDAZO[1,2-B][1,2,4]TRIAZINE

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1,1-Dibromo-3,3,3-trifluoroacetone Suppliers

Americas 1 Canada 1 China 181 Europe 2 France 1 Germany 2 India 4 Japan 1 Russia 1 The Netherlands 1 United Kingdom 11 United States 19 Global 225

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View Lastest Price from 1,1-Dibromo-3,3,3-trifluoroacetone manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD

Product: 1,1-Dibromo-3,3,3-trifluoroacetone 431-67-4
Price: US $2.20-8.80/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: 100kg
Release date: 2025-06-24

Henan Aochuang Chemical Co.,Ltd.

Product: 1,1-Dibromo-3,3,3-trifluoroacetone 431-67-4
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-10-08

Shaanxi Dideu Medichem Co. Ltd

Product: 1,1-Dibromo-3,3,3-trifluoroacetone 431-67-4
Price: US $20.00-5.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 200000KG
Release date: 2024-07-15

431-67-4, 1,1-Dibromo-3,3,3-trifluoroacetoneRelated Search:

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1,1-DIBROMO-3,3,3-TRIFLUOROACETONE

3,3-DIBROMO-1,1,1-TRIFLUOROACETONE

1,1-Dibromo-3,3,3-trifluoropropan-2-one

1,1-Dibromo-3,3,3-trifluoroacetone 97%

1,1-Dibromo-3,3,3-trifluoroacetone97%

3,3-Dibromo-1,1,1-trifluoropropan-2-one

3,3-Dibromo-1,1,1-trifluoroacetone 97%

3,3-Dibromo-1,1,1-trifluoropropan-2-one, 3,3-Dibromo-2-oxo-1,1,1-trifluoropropane

1,1,1-Trifluoro-3,3-dibroMoacetone

3,3-DibroMo-1,1,1-trifluoro-2-propanone

1,1-Dibromo-3,3,3-trifL

2-Propanone, 3,3-dibromo-1,1,1-trifluoro-

Dibromotrifluoroacetone

431-67-4

C3HBr2F3O

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