Skip to the beginning of the images gallery

3-Bromo-5-(trifluoromethyl)aniline - ≥98.0%, high purity , CAS No.54962-75-3

COA

Grade & Purity:

≥98%

Cas Number: 54962-75-3
Molecular Weight: 240.02
EC Number: 259-412-6
MDL number: MFCD00236205
PubChem CID: 2735880
PubChem SID: 488192759

In stock

Item Number

B123722

Grouped product items
SKU	Size	Availability	Price
B123722-1g	1g	5	$13.90
B123722-5g	5g	3	$53.90
B123722-25g	25g	4	$239.90
B123722-100g	100g	3	$861.90
B123722-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,878.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	3-BROMO-5-AMINOBENZOTRIFLUORIDE \| SCHEMBL134690 \| Benzenamine, 3-bromo-5-(trifluoromethyl)- \| SY015377 \| AKOS005063748 \| PS-7591 \| 3-Bromo-5-trifluoromethyl-phenylamine \| 3-bromo-5-trifluoromethylaniline \| 3-bromo-5-trifluoromethyl-aniline \| F5608-0064 \|
Specifications & Purity	≥98%
Storage Temp	Argon charged
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 Bromobenzenes Aryl bromides Primary amines Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organonitrogen compound - Organofluoride - Organobromide - 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

Names and Identifiers

Pubchem Sid	488192759
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488192759
IUPAC Name	3-bromo-5-(trifluoromethyl)aniline
INCHI	InChI=1S/C7H5BrF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
InChIKey	HJTLKVYOWNTDPF-UHFFFAOYSA-N
Smiles	C1=C(C=C(C=C1N)Br)C(F)(F)F
Isomeric SMILES	C1=C(C=C(C=C1N)Br)C(F)(F)F
WGK Germany	3
Molecular Weight	240.02
Reaxy-Rn	8616452
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8616452&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.

4 results found

Lot Number	Certificate Type	Date	Item
I2405301	Certificate of Analysis	Jun 26, 2024	B123722
I2405302	Certificate of Analysis	Jun 26, 2024	B123722
F1430040	Certificate of Analysis	Apr 26, 2022	B123722
E2326199	Certificate of Analysis	Nov 03, 2021	B123722

Chemical and Physical Properties

Sensitivity	Air sensitive
Refractive Index	1.528
Flash Point(°F)	107°C
Flash Point(°C)	107°C
Boil Point(°C)	220-223°C
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration