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4-Bromo-2-(chloromethyl)-1-fluorobenzene - 98%, high purity , CAS No.1020992-68-0

COA

Grade & Purity:

≥98%

Cas Number: 1020992-68-0
Molecular Weight: 223.5
PubChem CID: 43200121

In stock

Item Number

B178830

Grouped product items
SKU	Size	Availability	Price	Qty
B178830-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$392.90

Basic Description

Synonyms	4-Bromo-2-(chloromethyl)-1-fluorobenzene \| 1020992-68-0 \| Benzene, 4-bromo-2-(chloromethyl)-1-fluoro- \| SCHEMBL20560539 \| 5-Bromo-2-fluorobenzyl chloride \| DTXSID80655714 \| VQB99268 \| MFCD11156107 \| AKOS000261915 \| BS-19206 \| CS-0443959 \| EN300-303416 \| A896902
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl chlorides
Alternative Parents	Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Organofluorides Organochlorides Organobromides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl chloride - Halobenzene - Fluorobenzene - Bromobenzene - Aryl halide - Aryl fluoride - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl chloride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl chlorides. These are organic compounds containing a benzene skeleton substituted with a chloromethyl group.
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	4-bromo-2-(chloromethyl)-1-fluorobenzene
INCHI	InChI=1S/C7H5BrClF/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,4H2
InChIKey	JKXAKUDNMINKEU-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1Br)CCl)F
Isomeric SMILES	C1=CC(=C(C=C1Br)CCl)F
PubChem CID	43200121
Molecular Weight	223.5

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	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
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	110.000
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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