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1,1-Dibromo-3,3,3-trifluoroacetone - 95%, high purity , CAS No.431-67-4

COA

Grade & Purity:

≥95%

Cas Number: 431-67-4
Molecular Weight: 269.85
MDL number: MFCD00041362
PubChem CID: 550523
PubChem SID: 504759223

In stock

Item Number

D102789

Grouped product items
SKU	Size	Availability	Price
D102789-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$48.90
D102789-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$87.90
D102789-25g	25g	2	$145.90
D102789-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$523.90
D102789-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$2,354.90

View related series

Carbonyl compound (2335) Non heterocyclic fluorine-containing block (1408)

Basic Description

Synonyms	GS-3496 \| 3,3-dibromo-1,1,1-trifluoropropanone \| 3,3-Dibromo-1,1,1-trifluoroacetone \| AKOS005063738 \| MFCD00041362 \| 2-Propanone, 3,3-dibromo-1,1,1-trifluoro- \| dibromotrifluoroaceton \| SCHEMBL216366 \| D77734 \| l,l-dibromo-3,3,3-trifluoroacetone \| C3HBr2F
Specifications & Purity	≥95%
Shipped In	Normal
Product Description	Product Application： 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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Alpha-haloketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones
Direct Parent	Alpha-haloketones
Alternative Parents	Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-haloketones. These are organic compounds contaning a halogen atom attached to the alpha carbon atom relative to C=O group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504759223
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759223
IUPAC Name	3,3-dibromo-1,1,1-trifluoropropan-2-one
INCHI	InChI=1S/C3HBr2F3O/c4-2(5)1(9)3(6,7)8/h2H
InChIKey	HEPPAPZASXFWTB-UHFFFAOYSA-N
Smiles	C(C(=O)C(F)(F)F)(Br)Br
Isomeric SMILES	C(C(=O)C(F)(F)F)(Br)Br
Molecular Weight	269.85
Reaxy-Rn	636645
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636645&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot Number	Certificate Type	Date	Item
H2303075	Certificate of Analysis	May 09, 2025	D102789
L2125386	Certificate of Analysis	Sep 22, 2023	D102789
L2125095	Certificate of Analysis	Sep 22, 2023	D102789
K1518160	Certificate of Analysis	May 08, 2023	D102789

Chemical and Physical Properties

Solubility	Soluble in Chloroform. Not miscible or difficult to mix in water.
Sensitivity	Air sensitive;Light sensitive;Moisture sensitive;Heat sensitive
Refractive Index	1.4305
Boil Point(°C)	111-113°C
Molecular Weight	269.840 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	269.833 Da
Monoisotopic Mass	267.835 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	119.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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