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2，3，3-Trichloroacrylic acid - ≥97%, high purity , CAS No.2257-35-4

COA

Grade & Purity:

≥97%

Cas Number: 2257-35-4
Molecular Weight: 175.39
PubChem CID: 16742

In stock

Item Number

T693627

Grouped product items
SKU	Size	Availability	Price	Qty
T693627-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,080.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Vinyl halides
    - Subclass Vinylogous halides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Vinyl halides
Subclass	Vinylogous halides
Intermediate Tree Nodes	Not available
Direct Parent	Vinylogous halides
Alternative Parents	Alpha-halocarboxylic acids Vinyl chlorides Monocarboxylic acids and derivatives Chloroalkenes Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Vinyl chloride - Haloalkene - Chloroalkene - Organic oxide - Organochloride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as vinylogous halides. These are organic compounds containing a halogen atom, which is indirectly attached to a carbonyl via an intervening vinyl (>C=C<) moiety.
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	2,3,3-trichloroprop-2-enoic acid
INCHI	InChI=1S/C3HCl3O2/c4-1(2(5)6)3(7)8/h(H,7,8)
InChIKey	WMUBNWIGNSIRDH-UHFFFAOYSA-N
Smiles	C(=C(Cl)Cl)(C(=O)O)Cl
Isomeric SMILES	C(=C(Cl)Cl)(C(=O)O)Cl
PubChem CID	16742
Molecular Weight	175.39

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	175.390 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	173.904 Da
Monoisotopic Mass	173.904 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	135.000
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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