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1-Bromo-4-chloro-2-fluoro-3-methylbenzene - 97%, high purity , CAS No.943830-58-8

COA

Grade & Purity:

≥97%

Cas Number: 943830-58-8
Molecular Weight: 223.47
PubChem CID: 13340108

In stock

Item Number

B195982

Grouped product items
SKU	Size	Availability	Price	Qty
B195982-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$70.90
B195982-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$235.90

Discover 1-Bromo-4-chloro-2-fluoro-3-methylbenzene by Aladdin Scientific in 97% for only $70.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1-Bromo-4-chloro-2-fluoro-3-methylbenzene \| 943830-58-8 \| 3-Bromo-6-chloro-2-fluorotoluene \| SCHEMBL1224250 \| DTXSID40537421 \| CKQJSLXOBAZJLD-UHFFFAOYSA-N \| MFCD09800768 \| AKOS015842358 \| DS-14935 \| CS-0186321 \| C77252 \| A859451
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Toluenes Chlorobenzenes Bromobenzenes Aryl fluorides Aryl chlorides Aryl bromides Organofluorides Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - Fluorobenzene - Chlorobenzene - Bromobenzene - Aryl halide - Aryl fluoride - Aryl chloride - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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	1-bromo-4-chloro-2-fluoro-3-methylbenzene
INCHI	InChI=1S/C7H5BrClF/c1-4-6(9)3-2-5(8)7(4)10/h2-3H,1H3
InChIKey	CKQJSLXOBAZJLD-UHFFFAOYSA-N
Smiles	CC1=C(C=CC(=C1F)Br)Cl
Isomeric SMILES	CC1=C(C=CC(=C1F)Br)Cl
Molecular Weight	223.47
Reaxy-Rn	11450463
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11450463&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	223.470 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	221.925 Da
Monoisotopic Mass	221.925 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	120.000
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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