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2-Chloro-4-(trifluoromethoxy)phenol - ≥98%, high purity , CAS No.70783-75-4

COA

Grade & Purity:

≥98%

Cas Number: 70783-75-4
EC Number: 675-611-4
PubChem CID: 13044783

In stock

Item Number

C727263

Grouped product items
SKU	Size	Availability	Price	Qty
C727263-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$111.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenols
    - Subclass 4-alkoxyphenols

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	4-alkoxyphenols
Intermediate Tree Nodes	Not available
Direct Parent	4-alkoxyphenols
Alternative Parents	Phenoxy compounds Phenol ethers O-chlorophenols Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Trihalomethanes Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	4-alkoxyphenol - Phenoxy compound - Phenol ether - 2-halophenol - 2-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 4-alkoxyphenols. These are phenols that carry an alkoxy group at the 4-position of the benzene ring.
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-chloro-4-(trifluoromethoxy)phenol
INCHI	InChI=1S/C7H4ClF3O2/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3,12H
InChIKey	LSTYNKXVEMLNBE-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1OC(F)(F)F)Cl)O
Isomeric SMILES	C1=CC(=C(C=C1OC(F)(F)F)Cl)O
Alternate CAS	70783-75-4
PubChem CID	13044783

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	212.550 g/mol
XLogP3	3.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	211.985 Da
Monoisotopic Mass	211.985 Da
Topological Polar Surface Area	29.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	174.000
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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