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4-Bromo-3-(trifluoromethyl)aniline - 98%, high purity , CAS No.393-36-2

COA

Grade & Purity:

≥98%

Cas Number: 393-36-2
Molecular Weight: 240.02
Beilstein Registry Number: 641589
EC Number: 206-885-1
MDL number: MFCD00007827
PubChem CID: 67852
PubChem SID: 488184024

In stock

Item Number

B119816

Grouped product items
SKU	Size	Availability	Price
B119816-1g	1g	1	$9.90
B119816-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$25.90
B119816-25g	25g	4	$71.90
B119816-100g	100g	6	$256.90
B119816-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,154.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	SCHEMBL204299 \| VT1261 \| EINECS 206-885-1 \| FT-0619975 \| 4-bromo-3-trifluoromethylaniline \| 4-bromo-3-trifluoromethyl-aniline \| 3-amino-6-bromobenzotrifluoride \| 3-trifluoromethyl-4-bromoaniline \| 4-Amino-1-bromo-2-(trifluoromethyl)benzene \| 4-Bromo-3-(tr
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal
Product Description	application： 4-Bromo-3-(trifluoromethyl)aniline has been used in the preparation of: 2,5-dibromo-(trifluoromethyl)benzene and 2-bromo-5-iodo-(trifluoromethyl)benzene AUY954, an aminocarboxylate analog of FTY720, a low nanomolar, monoselective agonist of the sphingosine-1-phosphate receptor

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	488184024
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184024
IUPAC Name	4-bromo-3-(trifluoromethyl)aniline
INCHI	InChI=1S/C7H5BrF3N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2
InChIKey	YGNISOAUPSJDJE-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1N)C(F)(F)F)Br
Isomeric SMILES	C1=CC(=C(C=C1N)C(F)(F)F)Br
WGK Germany	3
UN Number	2811
Packing Group	III
Molecular Weight	240.02
Beilstein	641589
Reaxy-Rn	641589
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=641589&ln=

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

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

Analytical Chart:

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12 results found

Lot Number	Certificate Type	Date	Item
D1811077	Certificate of Analysis	Jun 12, 2025	B119816
E2325258	Certificate of Analysis	Feb 11, 2025	B119816
L2201520	Certificate of Analysis	Sep 18, 2024	B119816
J2219037	Certificate of Analysis	Jul 18, 2024	B119816
J2219043	Certificate of Analysis	Jul 18, 2024	B119816
J2219045	Certificate of Analysis	Jul 18, 2024	B119816
J2219051	Certificate of Analysis	Jul 18, 2024	B119816
H2408153	Certificate of Analysis	Jun 24, 2024	B119816
H2408154	Certificate of Analysis	Jun 24, 2024	B119816
D1811078	Certificate of Analysis	Aug 14, 2023	B119816
L1224035	Certificate of Analysis	Jun 21, 2022	B119816
G1823001	Certificate of Analysis	Feb 15, 2022	B119816

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Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	Air Sensitive
Flash Point(°F)	235.4 °F
Flash Point(°C)	>110°(230°F)
Boil Point(°C)	81-84°/0.5mm
Melt Point(°C)	46-49°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

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