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3-Bromo-4-(trifluoromethyl)aniline - 95%, high purity , CAS No.172215-91-7

COA

Grade & Purity:

≥95%

Cas Number: 172215-91-7
Molecular Weight: 240
PubChem CID: 18614802
PubChem SID: 504768740

In stock

Item Number

B182059

Grouped product items
SKU	Size	Availability	Price
B182059-250mg	250mg	3	$15.90
B182059-1g	1g	5	$36.90
B182059-5g	5g	3	$128.90
B182059-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$231.90
B182059-25g	25g	3	$362.90

Basic Description

Synonyms	3-Bromo-4-(trifluoromethyl)aniline \| 172215-91-7 \| MFCD12828280 \| Benzenamine, 3-bromo-4-(trifluoromethyl)- \| 3-BROMO-4-TRIFLUOROMETHYLANILINE \| SCHEMBL1039295 \| DTXSID80595126 \| VMERAUXEEDONDK-UHFFFAOYSA-N \| CL8898 \| AKOS007930806 \| CS-W006101 \| GS-3882 \| SY043036 \| EN300-157478 \|
Specifications & Purity	≥95%
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	Aniline and substituted anilines Bromobenzenes Aryl bromides Primary amines Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Alkyl fluoride - Organofluoride - Organobromide - Organohalogen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl halide - 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

Pubchem Sid	504768740
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768740
IUPAC Name	3-bromo-4-(trifluoromethyl)aniline
INCHI	InChI=1S/C7H5BrF3N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2
InChIKey	VMERAUXEEDONDK-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1N)Br)C(F)(F)F
Isomeric SMILES	C1=CC(=C(C=C1N)Br)C(F)(F)F
Molecular Weight	240
Reaxy-Rn	7370538
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7370538&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
K2422013	Certificate of Analysis	Aug 09, 2022	B182059
J2219214	Certificate of Analysis	Aug 09, 2022	B182059
J2219225	Certificate of Analysis	Aug 09, 2022	B182059
J2219224	Certificate of Analysis	Aug 09, 2022	B182059
J2219226	Certificate of Analysis	Aug 09, 2022	B182059

Chemical and Physical Properties

Sensitivity	Light sensitive
Molecular Weight	240.020 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	238.956 Da
Monoisotopic Mass	238.956 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	159.000
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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