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1，1，1-Trichloro-3，3，3-trifluoro-2-propanone - ≥97%, high purity , CAS No.758-42-9

COA

Grade & Purity:

≥97%

Cas Number: 758-42-9
Molecular Weight: 215.39
PubChem CID: 69796

In stock

Item Number

T694302

Grouped product items
SKU	Size	Availability	Price	Qty
T694302-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$265.90

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

IUPAC Name	1,1,1-trichloro-3,3,3-trifluoropropan-2-one
INCHI	InChI=1S/C3Cl3F3O/c4-2(5,6)1(10)3(7,8)9
InChIKey	AVTAIKNWAIKGEV-UHFFFAOYSA-N
Smiles	C(=O)(C(F)(F)F)C(Cl)(Cl)Cl
Isomeric SMILES	C(=O)(C(F)(F)F)C(Cl)(Cl)Cl
PubChem CID	69796
Molecular Weight	215.39

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	86-89
Molecular Weight	215.380 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	213.897 Da
Monoisotopic Mass	213.897 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	146.000
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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