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2，2'-((3-(Trifluoromethyl)phenyl)azanediyl)diethanol - ≥95%, high purity , CAS No.323-79-5

COA

Grade & Purity:

≥95%

Cas Number: 323-79-5
Molecular Weight: 249.23
PubChem CID: 266153

In stock

Item Number

P696977

Grouped product items
SKU	Size	Availability	Price	Qty
P696977-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$43.90
P696977-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$86.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Trifluoromethylbenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Dialkylarylamines Aniline and substituted anilines 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 1,2-aminoalcohol - Tertiary amine - Alkanolamine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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-[N-(2-hydroxyethyl)-3-(trifluoromethyl)anilino]ethanol
INCHI	InChI=1S/C11H14F3NO2/c12-11(13,14)9-2-1-3-10(8-9)15(4-6-16)5-7-17/h1-3,8,16-17H,4-7H2
InChIKey	CSXRYPPKUCHPDW-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)N(CCO)CCO)C(F)(F)F
Isomeric SMILES	C1=CC(=CC(=C1)N(CCO)CCO)C(F)(F)F
PubChem CID	266153
Molecular Weight	249.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	249.230 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	249.098 Da
Monoisotopic Mass	249.098 Da
Topological Polar Surface Area	43.700 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	217.000
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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2，2'-((3-(Trifluoromethyl)phenyl)azanediyl)diethanol - ≥95%, high purity , CAS No.323-79-5

Basic Description