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2-Bromo-4-chloro-5-fluoro-phenylamine - ≥95%, high purity , CAS No.120694-11-3

COA

Grade & Purity:

≥95%

Cas Number: 120694-11-3
Molecular Weight: 224.46
MDL number: MFCD12026231
PubChem CID: 50998079

In stock

Item Number

B769557

Grouped product items
SKU	Size	Availability	Price
B769557-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$131.90
B769557-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$221.90
B769557-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$367.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
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 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 Chlorobenzenes Bromobenzenes Aryl fluorides Aryl chlorides Aryl bromides Primary amines Organofluorides Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-bromoaniline - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organohalogen compound - Organobromide - Organochloride - Organofluoride - 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

IUPAC Name	2-bromo-4-chloro-5-fluoroaniline
INCHI	InChI=1S/C6H4BrClFN/c7-3-1-4(8)5(9)2-6(3)10/h1-2H,10H2
InChIKey	ZPMKGKUWDFEBFB-UHFFFAOYSA-N
Smiles	C1=C(C(=CC(=C1F)Cl)Br)N
Isomeric SMILES	C1=C(C(=CC(=C1F)Cl)Br)N
PubChem CID	50998079
Molecular Weight	224.46

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	224.460 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	222.92 Da
Monoisotopic Mass	222.92 Da
Topological Polar Surface Area	26.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	124.000
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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