CAS 482-05-3 Diphenic acid (HCID 10210)

Overview

Diphenic acid is a dicarboxylic acid. It is a conjugate acid of a diphenate(1-). It derives from a hydride of a biphenyl.

Names & identifiers

Preferred name: Diphenic acid
IUPAC: 2-(2-carboxyphenyl)benzoic acid
English name: Diphenic acid
Molecular formula: C14H10O4
Molecular weight: 242.23

Names & synonyms

DIPHENIC ACID482-05-3[1,1'-Biphenyl]-2,2'-dicarboxylic acid2,2'-Biphenyldicarboxylic acid2,2'-Bibenzoic acid2,2'-Dicarboxybiphenyl2,2'-Diphenic acidO,O'-Diphenic acidO,O'-Bibenzoic acidNSC-1966QY5X735ZIM(1,1'-Biphenyl)-2,2'-dicarboxylic acid

Show more names

O-PHENYL BENZOIC ACIDDiphenicBIPHENIC ACID2,2?Diphenit acidiphenicaci

DTXSID0060064CHEBI:23837RefChem:134636DTXCID6040610207-576-4Biphenyl-2,2'-dicarboxylic acid2-(2-carboxyphenyl)benzoic acidUNII-QY5X735ZIM

Database identifiers

CAS: 482-05-3
PubChem CID: 10210
DTXSID: DTXSID0060064
ChEMBL: CHEMBL79411
ChEBI: CHEBI:23837
UNII: QY5X735ZIM
EC Number: 207-576-4
Nikkaji: J5.783E

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 74.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 294

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Benzoic Acid Derivatives

SpringerMaterials PropertiesBoiling point

LogP2.07

Vapor Pressure0.00000001 [mmHg]

Physical DescriptionSolid; [Merck Index] Beige powder; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 227 · 227-229 °C(lit.)
Boiling point: 345.05 °C · 345.05°C (rough estimate)
Density: 1.2695 · 1.2695 (rough estimate)
bulk density: 470 kg/m3 · 470kg/m3
refractive index: 1.5389 · 1.5389 (estimate)
storage temp.: 30 °C · Store below +30°C.
solubility: almost transparency in Methanol
form: powder to crystal
pka: 3.2 · pKa 3.20(H2O t=23.0) (Uncertain);5.06(H2O t=23.0) (Uncertain)
color: White to Orange to Green
PH: 4 · 4-5 (H2O, 20℃)
Water Solubility: insoluble (20 ºC)
Merck: 14 · 14,3310
BRN: 2053625 · 2053625
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)
InChIKey: GWZCCUDJHOGOSO-UHFFFAOYSA-N
SMILES: OC(=O)c1ccccc1-c2ccccc2C(O)=O
CAS DataBase Reference: 482 · 482-05-3(CAS DataBase Reference)
FDA UNII: 5 X735ZIM · QY5X735ZIM
NIST Chemistry Reference: 2 · 2,2'-Biphenyldicarboxylic acid(482-05-3)
EPA Substance Registry System: 1 · [1,1'-Biphenyl]-2,2'-dicarboxylic acid (482-05-3)
UNSPSC Code: 12352106 · 12352106
NACRES: 23 · NA.23
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-37
WGK Germany: 3 · 3
Autoignition Temperature: 390 °C · 390 °C
TSCA: TSCA listed
HS Code: 29173980 · 29173980
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: [1,1'-Biphenyl]-2,2'-dicarboxylic acid

[1,1'-Biphenyl]-2,2'-dicarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29173980
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39-37
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Autoignition Temperature: 390 °C
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing Information[1,1'-Biphenyl]-2,2'-dicarboxylic acid: ACTIVE

Applications · 2 items

Description2,2’Dicarboxybiphenyl acid is also known as diphenic acid, being a useful pharmaceutical intermediate and used in the synthesis of dyes. Diphenic acid derivatives have attracted great attention due to its possession of useful therapeutic properties. Many diphenic acids derivatives have the potential of lowering the risk of chronic diseases such as cancer, cardiovascular diseases and other pathologies. It is applied in many herbs and components of food. Diphenic acids derivatives can usually be found in fruits like blackberry, raspberry and strawberry.

UsesDiphenic acid exhibits the chemical reactivity of aromatic dicarboxylic acids, producing anhydrides, esters, imides, amides, and oxychlorides. This compound possesses properties such as heat resistance, cold resistance, alkali resistance, hydrophobicity, weather resistance, and radiation resistance. Besides being used as a resin raw material and modifier for engineering plastics, a modifier for specialty coatings, a fiber modifier, a specialty plasticizer, and a modifier for pressure-sensitive adhesives, it can also serve as a raw material for rust inhibitors, pharmaceuticals, dyes, pigments, and pesticides. Due to the abundant phenanthrene resources in coal tar, biphenyl dicarboxylic acid has considerable application potential.