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1,1,1-Trifluoro-3-methylbutan-2-one - 97%, high purity , CAS No.382-03-6

COA

Grade & Purity:

≥97%

Cas Number: 382-03-6
Molecular Weight: 140.11
MDL number: MFCD08275465
PubChem CID: 238398

In stock

Item Number

T469147

Grouped product items
SKU	Size	Availability	Price	Qty
T469147-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$156.90

Basic Description

Synonyms	Q27160818 \| EN300-1235006 \| 1,1,1-Trifluoro-3-methylbutan-2-one, 97% \| CHEBI:88832 \| FT-0684559 \| 2-Butanone,1,1,1-trifluoro-3-methyl- \| A898284 \| 1,1,1-Trifluoro-3-methyl-2-butanone \| SY315338 \| 1,1,1-Trifluoro-3-methylbutan-2-one, AldrichCPR \| NSC42735
Specifications & Purity	≥97%

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 Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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

IUPAC Name	1,1,1-trifluoro-3-methylbutan-2-one
INCHI	InChI=1S/C5H7F3O/c1-3(2)4(9)5(6,7)8/h3H,1-2H3
InChIKey	NLCCAFQWEKMQLM-UHFFFAOYSA-N
Smiles	CC(C)C(=O)C(F)(F)F
Isomeric SMILES	CC(C)C(=O)C(F)(F)F
PubChem CID	238398
Molecular Weight	140.11

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	140.100 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	140.045 Da
Monoisotopic Mass	140.045 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	114.000
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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