ChemicalBook--->CAS DataBase List--->31127-54-5

31127-54-5

31127-54-5 Structure

31127-54-5 Structure
IdentificationMore
[Name]

2,3,4,4'-Tetrahydroxybenzophenone
[CAS]

31127-54-5
[Synonyms]

2,3,4,4'-TETRAHYDROXYBENZOPHENONE
2,3,4,4-TETRAHYDROXYBENZOPHENONE
2,3,4,4'-THBP
4-(4-Hydroxybenzoyl)-1,2,3-trihydroxybenzene
2,3,4,4'-Tetrehydroxybenzophenone
(4-hydroxyphenyl)(2,3,4-trihydroxyphenyl) methanone
2,3,4,4'-Tetrahydroxybenzophenone(Bp-28)
Methanone, (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)-
2,3,4,4-TETRAHYDROXYBENZOPHENONE 99+%
2,3,4,4-TETRAHYDROXYBENZOPHENONE 98%
[EINECS(EC#)]

202-110-6
[Molecular Formula]

C13H10O5
[MDL Number]

MFCD00083097
[Molecular Weight]

246.22
[MOL File]

31127-54-5.mol
Chemical PropertiesBack Directory
[Melting point ]

199-204°C
[Boiling point ]

519.0±50.0 °C(Predicted)
[density ]

1.526±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

powder to crystal
[pka]

7.38±0.40(Predicted)
[color ]

Light yellow to Amber to Dark green
[Water Solubility ]

15.07g/L(24.99 ºC)
[InChI]

InChI=1S/C13H10O5/c14-8-3-1-7(2-4-8)11(16)9-5-6-10(15)13(18)12(9)17/h1-6,14-15,17-18H
[InChIKey]

ZRDYULMDEGRWRC-UHFFFAOYSA-N
[SMILES]

C(C1=CC=C(O)C=C1)(C1=CC=C(O)C(O)=C1O)=O
[CAS DataBase Reference]

31127-54-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[HS Code ]

2914500090
Hazard InformationBack Directory
[Chemical Properties]

Yellow powder
[Uses]

2,3,4,4'-Tetrahydroxybenzophenone can be used for positive resist composition.
[Preparation]

Preparation by benzoylation of pyrogallol with p-hydroxybenzoic acid in the presence of Amberlyst-15 in refluxing toluene for 21 h under azeotropical removal of water (86%).
[Synthesis]

Pyrogallol

87-66-1

4-Hydroxybenzoic acid

99-96-7

2,3,4,4'-Tetrahydroxybenzophenone

31127-54-5

General procedure for the synthesis of (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone from o-hydroxybenzenetriol and p-hydroxybenzoic acid: 0.11 moles of p-hydroxybenzoic acid and 0.1 moles of pyrophosphoric acid as an acylating agent as well as 0.015 moles of concentrated sulfuric acid were added in a reactor and mixed well. An inert gas was passed for 10 minutes to remove air. After increasing the system temperature to 70-80°C, the reactor was closed, the temperature was adjusted to 110-130°C, the pressure was maintained at 0.1-5 MPa and the reaction was carried out for 3 hours. Upon completion of the reaction, the reaction mixture was cooled to 50-60 °C and held at this temperature for 1.5 hours. Subsequently, 200 ml of 20% ethanol solution was added and crystallized at 0-5°C. The crystals were collected by filtration and dried to give the target product (4-hydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone. The molar yield of this step was 78.16% and the purity was ≥98.5% by HPLC.

[References]

[1] Patent: CN106349036, 2017, A. Location in patent: Paragraph 0032-0037
[2] Patent: CN106365961, 2017, A. Location in patent: Paragraph 0030; 0031; 0032; 0033; 0034; 0035
[3] Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 2, p. 482
[4] Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 2, p. 483
[5] Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 2, p. 483
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

2,3,4,4'-Tetrahydroxybenzophenone,>98.0%(T)(31127-54-5)
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