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2-[2-(trifluoromethyl)phenyl]ethan-1-amine - 97%, high purity , CAS No.774-18-5

COA

Grade & Purity:

≥97%

Cas Number: 774-18-5
Molecular Weight: 189.18
EC Number: 212-262-5
PubChem CID: 69883

In stock

Item Number

E638369

Grouped product items
SKU	Size	Availability	Price	Qty
E638369-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$29.90
E638369-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$109.90

Basic Description

Synonyms	DTXSID80228109 \| QWY96YFJ3Y \| 2-[2-(trifluoromethyl)phenyl]ethylamine \| 2-(2-(trifluoromethyl)phenyl)ethan-1-amine \| FT-0688508 \| BENZENEETHANAMINE, O-(TRIFLUOROMETHYL)- \| O-(TRIFLUOROMETHYL)BENZENEETHANAMINE \| o-(Trifluoromethyl)phenethylamine \| 4-Amino-
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Phenethylamines 2-arylethylamines Aralkylamines Organopnictogen compounds Organofluorides Monoalkylamines Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Phenethylamine - 2-arylethylamine - Aralkylamine - Alkyl fluoride - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Organopnictogen compound - 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-[2-(trifluoromethyl)phenyl]ethanamine
INCHI	InChI=1S/C9H10F3N/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h1-4H,5-6,13H2
InChIKey	LIERORLYMWHXDL-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)CCN)C(F)(F)F
Isomeric SMILES	C1=CC=C(C(=C1)CCN)C(F)(F)F
Alternate CAS	774-18-5
PubChem CID	69883
Molecular Weight	189.18

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	189.180 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	189.077 Da
Monoisotopic Mass	189.077 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	155.000
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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