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4-Chloro-5-(trifluoromethyl)benzene-1,2-diamine - 95%, high purity , CAS No.157590-59-5

COA

Grade & Purity:

≥95%

Cas Number: 157590-59-5
Molecular Weight: 210.58
PubChem CID: 2773497

In stock

Item Number

C191167

Grouped product items
SKU	Size	Availability	Price
C191167-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$67.90
C191167-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$185.90
C191167-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$833.90

Basic Description

Synonyms	157590-59-5 \| 4-chloro-5-(trifluoromethyl)benzene-1,2-diamine \| 2-Amino-4-chloro-5-(trifluoromethyl)aniline \| 2-Chloro-4,5-diaminobenzotrifluoride \| 2-Amino-4-chloro-5-(trifluoromethyl)phenylamine \| 1,2-Benzenediamine, 4-chloro-5-(trifluoromethyl)- \| 4-Chloro-5-trifl
Specifications & Purity	≥95%
Shipped In	Normal

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	Aniline and substituted anilines Chlorobenzenes Aryl chlorides Primary amines Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Amine - Primary amine - Hydrocarbon derivative - 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

Mechanisms of Action

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

Names and Identifiers

IUPAC Name	4-chloro-5-(trifluoromethyl)benzene-1,2-diamine
INCHI	InChI=1S/C7H6ClF3N2/c8-4-2-6(13)5(12)1-3(4)7(9,10)11/h1-2H,12-13H2
InChIKey	BUSGYQISMPLVIJ-UHFFFAOYSA-N
Smiles	C1=C(C(=CC(=C1N)N)Cl)C(F)(F)F
Isomeric SMILES	C1=C(C(=CC(=C1N)N)Cl)C(F)(F)F
Molecular Weight	210.58
Reaxy-Rn	7372473
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7372473&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	210.580 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	210.017 Da
Monoisotopic Mass	210.017 Da
Topological Polar Surface Area	52.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	185.000
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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