Phloroglucide

Base Information

• Chemical Name: Phloroglucide
• CAS No.: 491-45-2
• Molecular Formula: C12H10O5
• Molecular Weight: 234.208
• Hs Code.: 2906299090
• NSC Number: 65069
• UNII: U4GNW4D2BR
• DSSTox Substance ID: DTXSID60197682
• Nikkaji Number: J181.263G
• Wikidata: Q72443752
• ChEMBL ID: CHEMBL1288340
• Mol file: 491-45-2.mol

Synonyms:Phloroglucide;491-45-2;2-(3,5-dihydroxyphenyl)benzene-1,3,5-triol;Phloroglucide hydrate;2,3',4,5',6-Biphenylpentol;NSC-65069;U4GNW4D2BR;(1,1'-Biphenyl)-2,3',4,5',6-pentol;[1,1'-Biphenyl]-2,3',4,5',6-pentol;[1,1'-Biphenyl]-2,3',4,5',6-pentaol;NSC65069;UNII-U4GNW4D2BR;NSC 65069;CHEMBL1288340;Biphenyl-2,3',4,5',6-pentaol;biphenyl-2,3',4,5',6-pentol;phloroglucid;Phloroglucinol Anhydrous Imp. D (EP);Phloroglucide (6CI);2,4,6,3',5'-Biphenylpentol;Phloroglucinol Impurity D;NCIOpen2_003126;2,4,5',6-Biphenylpentol;SCHEMBL278516;2,4,6,3',5'-biphenylpentol;DTXSID60197682;BBL036662;BDBM50332178;MFCD00044547;STL552794;ZB1044;AKOS024287485;AS-62474;FT-0632218;2,3',4,5',6-Biphenylpentol (Phloroglucide);2,3?,4,5?,6-Biphenylpentol (Phloroglucide);[1,10-Biphenyl]-2,3'',4,5'',6-pentol

Chemical Property of Phloroglucide

Chemical Property:

• Vapor Pressure: 7.91E-12mmHg at 25°C
• Melting Point: 300oC
• Boiling Point: 529.5°Cat760mmHg
• Flash Point: 268.1°C
• PSA: 101.15000
• Density: 1.594g/cm³
• LogP: 1.88160
• Storage Temp.: Dark Room
• Sensitive.: Light Sensitive
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 234.05282342
• Heavy Atom Count: 17
• Complexity: 237

Purity/Quality:

99% ^*data from raw suppliers

Phloroglucide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 3324960
• Hazard Codes: Xi
• Statements: 36/37/38-41
• Safety Statements: 24/25-39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1O)O)C2=C(C=C(C=C2O)O)O
• Uses: Phloroglucide acts as a potential corrosion inhibitor of aluminum 2024 when combined in a hybrid flake composite with the metal. It is also a derivative of Phlorglucinol (P340000), an antispasmodic.

Technology Process of Phloroglucide

There total 1 articles about Phloroglucide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + 2,4,6-trihydroxybenzene-1,3,5-trisulfonic acid (716306-63-7) → 3,5-dihydroxyphenol (108-73-6) + NSC65069 (491-45-2)

Guidance literature:

Reference yield:

NSC65069 (491-45-2) + squaric acid (2892-51-5) → C28H18O12

Guidance literature:

With acetic acid; for 24h; Reflux;

Reference yield:

NSC65069 (491-45-2) + 1-(2,4-dihydroxy-3-(hydroxymethyl)-5-methylphenyl)ethan-1-one → 1-(2,4-dihydroxy-5-methyl-3-((2,3′,4,5′,6-pentahydroxy-[1,1′-biphenyl]-3-yl)methyl)phenyl)ethan-1-one

Guidance literature:

In water; at 25 ℃; for 16h; pH=5 - 7.5; Temperature;

DOI:10.1021/acs.joc.9b02971

upstream raw materials:

hydrogenchloride

2,4,6-trihydroxybenzene-1,3,5-trisulfonic acid