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3-Amino-5-(trifluoromethyl)benzoic Acid - >97.0%(HPLC)(T), high purity , CAS No.328-68-7

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3-Amino-5-(trifluoromethyl)benzoic Acid - >97.0%(HPLC)(T), high purity , CAS No.328-68-7

1 Citations

COA

Grade & Purity:

≥97%(HPLC)(T)

Cas Number: 328-68-7
Molecular Weight: 205.14
MDL number: MFCD00236641
PubChem CID: 609556
PubChem SID: 504759526

In stock

Item Number

A151469

Grouped product items
SKU	Size	Availability	Price
A151469-1g	1g	3	$37.90
A151469-5g	5g	3	$170.90
A151469-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$767.90

View related series

Chemical Biology (1255) Peptide chemistry (314)

Basic Description

Synonyms	3-Amino-5-(trifluoroemthyl)benzoic acid \| AB05399 \| 3-Amino-5-(trifluoromethyl)benzoic acid \| 3-Amino-5-(trifluoromethyl)-benzoic acid \| AKOS005216893 \| EN300-52979 \| BB 0257433 \| MFCD00236641 \| AM82988 \| FT-0631963 \| CK2233 \| SY057145 \| Z764473252 \| J-51
Specifications & Purity	≥97%(HPLC)(T)
Storage Temp	Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Aminobenzoic acids and derivatives
        Level6 Aminobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Aminobenzoic acids and derivatives
Direct Parent	Aminobenzoic acids
Alternative Parents	Trifluoromethylbenzenes Benzoic acids Benzoyl derivatives Aniline and substituted anilines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Aminobenzoic acid - Trifluoromethylbenzene - Benzoic acid - Benzoyl - Aniline or substituted anilines - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Primary amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Alkyl fluoride - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene 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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504759526
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504759526
IUPAC Name	3-amino-5-(trifluoromethyl)benzoic acid
INCHI	InChI=1S/C8H6F3NO2/c9-8(10,11)5-1-4(7(13)14)2-6(12)3-5/h1-3H,12H2,(H,13,14)
InChIKey	WBTHOSZMTIPJLR-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1C(F)(F)F)N)C(=O)O
Isomeric SMILES	C1=C(C=C(C=C1C(F)(F)F)N)C(=O)O
WGK Germany	3
Molecular Weight	205.14
Reaxy-Rn	2844057
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2844057&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot Number	Certificate Type	Date	Item
J1930041	Certificate of Analysis	Aug 08, 2023	A151469
E2319249	Certificate of Analysis	Jun 01, 2023	A151469
E2319251	Certificate of Analysis	May 25, 2023	A151469

Chemical and Physical Properties

Sensitivity	air sensitive
Melt Point(°C)	143 °C
Molecular Weight	205.130 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	205.035 Da
Monoisotopic Mass	205.035 Da
Topological Polar Surface Area	63.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	229.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Xiangyu Yang, Shijie Li, Jin Zhang, Xiaomin Wang, Yongzhen Wang, Jianguo Zhao. (2021) A Low-Temperature Heat Output Photoactive Material-Based High-Performance Thermal Energy Storage Closed System. Materials, 14 (6): (1434).

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