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1,1,1-Trichloroacetone - 95%, high purity , CAS No.918-00-3

2 Citations

COA

Grade & Purity:

≥95%

Cas Number: 918-00-3
Molecular Weight: 161.41
Beilstein Registry Number: 1(3)2751
MDL number: MFCD00018829
PubChem CID: 13514
PubChem SID: 488181860

In stock

Item Number

T161568

Grouped product items
SKU	Size	Availability	Price
T161568-1g	1g	10	$15.90
T161568-5g	5g	9	$61.90
T161568-25g	25g	2	$235.90

View related series

ketone (798) Non heterocyclic block (8163)

Basic Description

Synonyms	DTXSID5021679 \| 1,1,1-TRICHLOROACETONE \| BRN 1748883 \| 2-Propanone, 1,1,1-trichloro- \| 1,1-Trichloro-2-propanone \| .alpha.,.alpha.,.alpha.-Trichloroacetone \| NSC 2645 \| CCl3COCH3 \| DTXCID001679 \| AKOS015848746 \| InChI=1/C3H3Cl3O/c1-2(7)3(4,5)6/h1H \| FT-06
Specifications & Purity	≥95%
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	Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-chloroketone - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - 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	488181860
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488181860
IUPAC Name	1,1,1-trichloropropan-2-one
INCHI	InChI=1S/C3H3Cl3O/c1-2(7)3(4,5)6/h1H3
InChIKey	SMZHKGXSEAGRTI-UHFFFAOYSA-N
Smiles	CC(=O)C(Cl)(Cl)Cl
Isomeric SMILES	CC(=O)C(Cl)(Cl)Cl
RTECS	UC3839000
PubChem CID	13514
Molecular Weight	161.41
Beilstein	1(3)2751
Reaxy-Rn	1748883

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.

5 results found

Lot Number	Certificate Type	Date	Item
K2210184	Certificate of Analysis	Oct 26, 2022	T161568
K2210157	Certificate of Analysis	Oct 26, 2022	T161568
K2210181	Certificate of Analysis	Oct 26, 2022	T161568
E2305838	Certificate of Analysis	Oct 26, 2022	T161568
E2305820	Certificate of Analysis	Oct 26, 2022	T161568

Chemical and Physical Properties

Refractive Index	1.46
Flash Point(°C)	64°C(lit.)
Boil Point(°C)	134°C
Molecular Weight	161.410 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	159.925 Da
Monoisotopic Mass	159.925 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	82.700
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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