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2-Chloro-6-fluoro-5-methylphenylboronic acid (contains varying amounts of Anhydride) - 95%, high purity , CAS No.352535-86-5

COA

Grade & Purity:

≥95%

Cas Number: 352535-86-5
Molecular Weight: 188.39
MDL number: MFCD03701535
PubChem CID: 3664842
PubChem SID: 504762656

In stock

Item Number

C138726

Grouped product items
SKU	Size	Availability	Price
C138726-1g	1g	3	$24.90
C138726-5g	5g	1	$87.90
C138726-10g	10g	1	$156.90
C138726-25g	25g	1	$304.90

Basic Description

Synonyms	2-Chloro-6-fluoro-5-methylphenylboronic acid \| 352535-86-5 \| 2-Fluoro-3-methyl-6-chlorophenylboronic acid \| (6-chloro-2-fluoro-3-methylphenyl)boronic acid \| 6-chloro-2-fluoro-3-methylphenylboronic acid \| MFCD03701535 \| 2-Chloro-6-fluoro-5-methylphenylboronicacid \| SCHE
Specifications & Purity	≥95%
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 Aryl fluorides Aryl chlorides Boronic acids Organic metalloid salts Organometalloid compounds Organofluorides Organochlorides Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Toluene - Chlorobenzene - Fluorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organochloride - Organofluoride - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organic metalloid moeity - 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

Pubchem Sid	504762656
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762656
IUPAC Name	(6-chloro-2-fluoro-3-methylphenyl)boronic acid
INCHI	InChI=1S/C7H7BClFO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3,11-12H,1H3
InChIKey	OXBULPFGOYOICC-UHFFFAOYSA-N
Smiles	B(C1=C(C=CC(=C1F)C)Cl)(O)O
Isomeric SMILES	B(C1=C(C=CC(=C1F)C)Cl)(O)O
WGK Germany	3
Molecular Weight	188.39
Reaxy-Rn	23409324
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23409324&ln=

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
F1925092	Certificate of Analysis	Apr 13, 2023	C138726

Chemical and Physical Properties

Melt Point(°C)	131-133°C
Molecular Weight	188.390 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	188.021 Da
Monoisotopic Mass	188.021 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	158.000
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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