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1-Chloro-3,3,3-trifluoroacetone - 97%, high purity , CAS No.431-37-8

COA

Grade & Purity:

≥97%

Cas Number: 431-37-8
Molecular Weight: 146.5
MDL number: MFCD01631508
PubChem CID: 2773837
PubChem SID: 504761854

In stock

Item Number

C303715

Grouped product items
SKU	Size	Availability	Price
C303715-1g	1g	3	$124.90
C303715-5g	5g	3	$443.90
C303715-25g	25g	4	$1,236.90

Basic Description

Synonyms	1-CHLORO-3,3,3-TRIFLUOROACETONE \| 431-37-8 \| 3-chloro-1,1,1-trifluoropropan-2-one \| 3-chloro-1,1,1-trifluoroacetone \| 3-chloro-1,1,1-trifluoro-2-propanone \| MFCD01631508 \| 2-Propanone, 3-chloro-1,1,1-trifluoro- \| C3H2ClF3O \| SCHEMBL2159347 \| DTXSID20378738 \| 3-chloro-1,1,1-t
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Alpha-haloketones
        Level7 Alpha-chloroketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Alpha-haloketones
Direct Parent	Alpha-chloroketones
Alternative Parents	Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-chloroketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Alkyl chloride - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alpha-chloroketones. These are organic compounds contaning a chlorine 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	504761854
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761854
IUPAC Name	3-chloro-1,1,1-trifluoropropan-2-one
INCHI	InChI=1S/C3H2ClF3O/c4-1-2(8)3(5,6)7/h1H2
InChIKey	OONJVQFMOZAXOI-UHFFFAOYSA-N
Smiles	C(C(=O)C(F)(F)F)Cl
Isomeric SMILES	C(C(=O)C(F)(F)F)Cl
UN Number	1993
Packing Group	I
Molecular Weight	146.5
Reaxy-Rn	1703386
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1703386&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.

7 results found

Lot Number	Certificate Type	Date	Item
H2130254	Certificate of Analysis	Jun 09, 2025	C303715
H2130255	Certificate of Analysis	Jun 09, 2025	C303715
E2416015	Certificate of Analysis	Jun 11, 2022	C303715
G2226347	Certificate of Analysis	Jun 11, 2022	C303715
F2314370	Certificate of Analysis	Jun 11, 2022	C303715
G2226348	Certificate of Analysis	Jun 11, 2022	C303715
G2226349	Certificate of Analysis	Jun 11, 2022	C303715

Chemical and Physical Properties

Molecular Weight	146.490 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	145.975 Da
Monoisotopic Mass	145.975 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	97.200
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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