Biphenyl-2,2'-dicarboxylic Acid

Inquiry

Molecular Formula:

C14H10O4

Molecular Weight:

242.23

CAS Number:

482-05-3

Catalog Number:

482-05-3

Product Information

Molecular Formula:

C14H10O4

Molecular Weight:

242.23

Description

Biphenyl-2,2'-dicarboxylic Acid (CAS# 482-05-3) is a useful research chemical.

Synonyms

2-(2-carboxyphenyl)benzoic acid; 2-(2-carboxyphenyl)benzoic acid

IUPAC Name

2-(2-carboxyphenyl)benzoic acid

Canonical SMILES

C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)O

InChI

InChI=1S/C14H10O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8H,(H,15,16)(H,17,18)

InChI Key

GWZCCUDJHOGOSO-UHFFFAOYSA-N

Boiling Point

345.05 ℃ (rough estimate)

Melting Point

233 ℃

Purity

> 98.0 % (GC) (T)

Density

1.2695 (rou gh estimate)

Appearance

White to orange to green powder to crystal

Storage

Store under inert gas

Refractive Index

1.5389 (estimate)

LogP

2.75000

Vapor Pressure

0.00000001 [mmHg]

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3

2.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

242.05790880 g/mol

Monoisotopic Mass

242.05790880 g/mol

Topological Polar Surface Area

74.6Å²

Heavy Atom Count

Formal Charge

Complexity

294

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-114133542-A	Bio-based copolyester and preparation method thereof	2021-12-15
CN-113881062-A	Cubic three-dimensional porphyrin metal-organic framework nano-structure material and preparation method thereof	2021-10-28
CN-113683868-A	Liquid crystal polymer film for 5G communication flexible copper clad laminate and preparation method thereof	2021-09-30
CN-113773479-A	High-impact-strength liquid crystal polyarylate and preparation method and application thereof	2021-09-30
CN-113828309-A	Catalyst for synthesizing methanol by carbon dioxide hydrogenation, preparation and application thereof	2021-09-29
CN-113754627-A	Preparation method of biphenylol acid	2021-09-03
CN-113429571-A	Method for preparing high-temperature-resistant nylon by using amidation reaction of polyester	2021-08-19
CN-113549204-A	Copolyester film with waterproof effect	2021-07-16
CN-113457633-A	Polyphenol-modified gamma-alumina-based porous carbon composite material, and preparation method and application thereof	2021-07-06
JP-6956911-B1	Antistatic agent	2021-06-18

Literatures

PMID	Publication Date	Title	Journal
22719430	2012-06-01	1,1'-Bicyclo-hexyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxyl-ate	Acta crystallographica. Section E, Structure reports online
22719431	2012-06-01	1-(4-Meth-oxy-phen-yl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxyl-ate	Acta crystallographica. Section E, Structure reports online
22719433	2012-06-01	1,1'-Bicyclo-propyl-1,1'-diyl 1,1'-biphenyl-2,2'-dicarboxyl-ate	Acta crystallographica. Section E, Structure reports online
22590412	2012-05-01	1-Phenylethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate	Acta crystallographica. Section E, Structure reports online
22590413	2012-05-01	1-(2-Bromophenyl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate	Acta crystallographica. Section E, Structure reports online
21464602	2011-03-01	Identification of metabolites from phenanthrene oxidation by phenoloxidases and dioxygenases of Polyporus sp. S133	Journal of microbiology and biotechnology
20963215	2010-12-07	Supramolecular networks of polymethylphosphonic acid groups bonded to aromatic platforms: biphenyldiyl-2,2'-bis(methylphosphonic acid) and benzenetriyl-1,3,5-tris(methylphosphonic acid)	Dalton transactions (Cambridge, England : 2003)
21589334	2010-11-27	Poly[(μ(3)-biphenyl-3,4'-dicarboxyl-ato-κO:O:O,O)(1H-imidazo[4,5-f][1,10]phenanthroline-κN,N)manganese(II)]	Acta crystallographica. Section E, Structure reports online
21579290	2010-05-12	Bis(μ-biphenyl-2,2'-dicarboxyl-ato)bis-[aqua-(2,2'-bipyridine)cadmium(II)]	Acta crystallographica. Section E, Structure reports online
20124675	2010-02-01	Poly[[trans-diaquabis(mu(2)-biphenyl-2,2'-dicarboxylato)bis(mu(2)-4,4'-bipyridine)dicobalt(II)] biphenyl-2,2'-dicarboxylic acid disolvate]	Acta crystallographica. Section C, Crystal structure communications

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The dilution calculator equation

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