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2-Borono-1,4-benzenedicarboxylic acid(contains varying amounts of Anhydride) - 98%, high purity , CAS No.1351221-58-3

COA

Grade & Purity:

≥98%

Cas Number: 1351221-58-3
Molecular Weight: 209.95
PubChem CID: 71732201

In stock

Item Number

B302461

Grouped product items
SKU	Size	Availability	Price
B302461-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$39.90
B302461-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$89.90
B302461-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$282.90

View related series

Boric acid and its derivatives (72)

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Phthalic acid and derivatives
        Level6 P-phthalic acid and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives
Direct Parent	P-phthalic acid and derivatives
Alternative Parents	Benzoic acids Benzoyl derivatives Boronic acids Organic metalloid salts Carboxylic acids Organooxygen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Para_phthalic_acid - Benzoic acid - Benzoyl - Boronic acid - Boronic acid derivative - Organic metalloid salt - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-phthalic acid and derivatives. These are compounds containing a benzene ring bearing a carboxylic acid group at ring carbon atoms 1 and 4.
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-boronoterephthalic acid
INCHI	InChI=1S/C8H7BO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3,14-15H,(H,10,11)(H,12,13)
InChIKey	XEIXYJVUCLHUTH-UHFFFAOYSA-N
Smiles	B(C1=C(C=CC(=C1)C(=O)O)C(=O)O)(O)O
Isomeric SMILES	B(C1=C(C=CC(=C1)C(=O)O)C(=O)O)(O)O
Molecular Weight	209.95
Reaxy-Rn	22308235
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22308235&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	546.6±60.0℃(Predicted)
Molecular Weight	209.950 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	210.034 Da
Monoisotopic Mass	210.034 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	266.000
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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