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2,4-Dichloro-5-propoxyphenylboronic acid - 96%, high purity , CAS No.1256346-45-8

COA

Grade & Purity:

≥96%

Cas Number: 1256346-45-8
Molecular Weight: 248.9
PubChem CID: 53216445

In stock

Item Number

D180643

Grouped product items
SKU	Size	Availability	Price	Qty
D180643-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$75.90
D180643-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$200.90

Basic Description

Synonyms	1256346-45-8 \| (2,4-Dichloro-5-propoxyphenyl)boronic acid \| 2,4-DICHLORO-5-PROPOXYPHENYLBORONIC ACID \| (2,4-Dichloro-5-propoxyphenyl)boronicacid \| Boronic acid, B-(2,4-dichloro-5-propoxyphenyl)- \| DTXSID30681684 \| MFCD17015751 \| AKOS015849933 \| BS-19780 \| CS-0175957 \| E85025
Specifications & Purity	≥96%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes
      - Level5 Chlorobenzenes
        Level6 Dichlorobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Chlorobenzenes
Direct Parent	Dichlorobenzenes
Alternative Parents	Phenoxy compounds Phenol ethers Alkyl aryl ethers Aryl chlorides Boronic acids Organic metalloid salts Organometalloid compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - 1,3-dichlorobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Boronic acid derivative - Boronic acid - Ether - Organic metalloid salt - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic metalloid moeity - Organochloride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
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	(2,4-dichloro-5-propoxyphenyl)boronic acid
INCHI	InChI=1S/C9H11BCl2O3/c1-2-3-15-9-4-6(10(13)14)7(11)5-8(9)12/h4-5,13-14H,2-3H2,1H3
InChIKey	IGWAPOTUMUZOAX-UHFFFAOYSA-N
Smiles	B(C1=CC(=C(C=C1Cl)Cl)OCCC)(O)O
Isomeric SMILES	B(C1=CC(=C(C=C1Cl)Cl)OCCC)(O)O
PubChem CID	53216445
Molecular Weight	248.9

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	248.900 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	248.018 Da
Monoisotopic Mass	248.018 Da
Topological Polar Surface Area	49.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	194.000
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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