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2，2，2-Trichloroethyl 3，5-Dihydroxybenzoate - About 20% in dichloromethane, about 1mol/L, high purity , CAS No.143330-91-0

COA

Grade & Purity:

About 20% in dichloromethane, about 1mol/L

Cas Number: 143330-91-0
Molecular Weight: 285.5
PubChem CID: 15424223

In stock

Item Number

T728401

Grouped product items
SKU	Size	Availability	Price	Qty
T728401-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$203.90
T728401-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$860.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzoic acid esters
        Level6 m-Hydroxybenzoic acid esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzoic acid esters
Direct Parent	m-Hydroxybenzoic acid esters
Alternative Parents	Resorcinols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	M-hydroxybenzoic acid ester - Benzoyl - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid ester - Carboxylic acid derivative - Alkyl chloride - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as m-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is meta-substituted with a hydroxy 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	2,2,2-trichloroethyl 3,5-dihydroxybenzoate
INCHI	InChI=1S/C9H7Cl3O4/c10-9(11,12)4-16-8(15)5-1-6(13)3-7(14)2-5/h1-3,13-14H,4H2
InChIKey	UJFDPTHAQUCMRW-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1O)O)C(=O)OCC(Cl)(Cl)Cl
Isomeric SMILES	C1=C(C=C(C=C1O)O)C(=O)OCC(Cl)(Cl)Cl
PubChem CID	15424223
Molecular Weight	285.5
Reaxy-Rn	5851681
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5851681&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	285.500 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	283.941 Da
Monoisotopic Mass	283.941 Da
Topological Polar Surface Area	66.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	244.000
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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