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2-Bromo-4,5,6-trifluoroaniline - 98%, high purity , CAS No.122375-82-0

COA

Grade & Purity:

≥98%

Cas Number: 122375-82-0
Molecular Weight: 225.99
MDL number: MFCD00013388
PubChem CID: 688120
PubChem SID: 488191083

In stock

Item Number

W131717

Grouped product items
SKU	Size	Availability	Price
W131717-1g	1g	3	$14.90
W131717-5g	5g	3	$33.90
W131717-25g	25g	1	$127.90

Basic Description

Synonyms	6-bromo-2,3,4-trifluoroaniline \| 122375-82-0 \| 2-Bromo-4,5,6-trifluoroaniline \| 2,3,4-trifluoro-6-bromoaniline \| Benzenamine, 6-bromo-2,3,4-trifluoro- \| SCHEMBL1638670 \| DTXSID80350792 \| 6-bromo-2,3,4-trifluoro-aniline \| CK1175 \| MFCD00013388 \| AKOS007930012 \| CS-W014213 \| 2-Bro
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Aniline and substituted anilines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	2-bromoanilines
Alternative Parents	Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Primary amines Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-bromoaniline - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Amine - Organobromide - Organohalogen compound - Organofluoride - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-bromoanilines. These are organic compounds that contain an aniline carrying a bromine atom at the C2-position.
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	488191083
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191083
IUPAC Name	6-bromo-2,3,4-trifluoroaniline
INCHI	InChI=1S/C6H3BrF3N/c7-2-1-3(8)4(9)5(10)6(2)11/h1H,11H2
InChIKey	AKJNEERVRJOBPD-UHFFFAOYSA-N
Smiles	C1=C(C(=C(C(=C1Br)N)F)F)F
Isomeric SMILES	C1=C(C(=C(C(=C1Br)N)F)F)F
WGK Germany	3
PubChem CID	688120
Molecular Weight	225.99

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
L2420054	Certificate of Analysis	Dec 21, 2024	W131717
C2019127	Certificate of Analysis	Jan 27, 2022	W131717

Chemical and Physical Properties

Melt Point(°C)	58-60 °C
Molecular Weight	225.990 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	224.94 Da
Monoisotopic Mass	224.94 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	146.000
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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