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2,4,6-Tris(3,4-dichlorophenyl)boroxin - 98%, high purity , CAS No.1133798-41-0

COA

Grade & Purity:

≥98%

Cas Number: 1133798-41-0
Molecular Weight: 518.4
PubChem CID: 44629844

In stock

Item Number

T161913

Grouped product items
SKU	Size	Availability	Price
T161913-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$30.90
T161913-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$132.90
T161913-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$452.90

View related series

arylboronic acid (628) Boric acid and its derivatives (72) Organoboron (685)

Basic Description

Synonyms	2,4,6-tris(3,4-dichlorophenyl)-1,3,5,2,4,6-trioxatriborinane \| 3,4-Dichlorophenylboronic Anhydride \| SCHEMBL623106 \| ACMLOUSDQIZBAK-UHFFFAOYSA-N \| 2,4,6-Tris(3,4-dichlorophenyl)boroxin \| D90190 \| MFCD10000954 \| 1133798-41-0 \| D3435 \| Tris(3,4-dichlorophen
Specifications & Purity	≥98%
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	Organoboroxines Aryl chlorides Boronic acid derivatives Oxacyclic compounds Organic metalloid salts Organometalloid compounds Organochlorides Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1,2-dichlorobenzene - Organoboroxine - Aryl halide - Aryl chloride - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Organic metalloid moeity - Organohalogen compound - Aromatic heteromonocyclic 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	2,4,6-tris(3,4-dichlorophenyl)-1,3,5,2,4,6-trioxatriborinane
INCHI	InChI=1S/C18H9B3Cl6O3/c22-13-4-1-10(7-16(13)25)19-28-20(11-2-5-14(23)17(26)8-11)30-21(29-19)12-3-6-15(24)18(27)9-12/h1-9H
InChIKey	ACMLOUSDQIZBAK-UHFFFAOYSA-N
Smiles	B1(OB(OB(O1)C2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)Cl
Isomeric SMILES	B1(OB(OB(O1)C2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)Cl
PubChem CID	44629844
Molecular Weight	518.4
Reaxy-Rn	19311201

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in Methanol
Molecular Weight	518.400 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	517.893 Da
Monoisotopic Mass	515.896 Da
Topological Polar Surface Area	27.700 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	495.000
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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