CAS No.3555-86-0,PHLOROBENZOPHENONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3555-86-0
Name:	PHLOROBENZOPHENONE
Article Data:	39

Formula:	C₁₃H₁₀O₄
Molecular Weight:	230.22
Synonyms:	Benzophenone,2,4,6-trihydroxy- (6CI,7CI,8CI);2,4,6-Trihydroxybenzophenone;Phlorobenzophenone;Phenyl(2,4,6-trihydroxyphenyl)methanone;
EINECS:	222-615-5
Density:	1.413 g/cm³
Melting Point:	170–171°C
Boiling Point:	406.4 °C at 760 mmHg
Flash Point:	213.7 °C
Solubility:	3.1 mg/mL in water at 25 ºC
PSA:	77.76000
LogP:	2.03440

Synthetic route

: 3770-80-7
2,4,6-trimethoxybenzophenone

: 3555-86-0
2-benzoylphloroglucinol

Conditions

Conditions	Yield
With boron tribromide In dichloromethane at -78 - 20℃; for 74h; Inert atmosphere; Schlenk technique;	100%
With boron tribromide In dichloromethane at -78 - 20℃; for 20h;	99%
With boron tribromide In dichloromethane at -78 - 20℃;	99%

: 108-73-6
3,5-dihydroxyphenol

: 98-88-4
benzoyl chloride

: 3555-86-0
2-benzoylphloroglucinol

Conditions

Conditions	Yield
With aluminum (III) chloride In nitrobenzene at 65℃; for 3h; Inert atmosphere;	72%
With aluminum (III) chloride In nitrobenzene at 65℃; Friedel-Crafts Acylation;	65.8%
Stage #1: 3,5-dihydroxyphenol With aluminum (III) chloride In carbon disulfide; nitrobenzene at 55℃; for 0.5h; Friedel-Crafts Acylation; Stage #2: benzoyl chloride In carbon disulfide; nitrobenzene for 0.5h; Friedel-Crafts Acylation; Heating;	54%

: 3770-80-7
2,4,6-trimethoxybenzophenone

A: 479-21-0
cotoin

B: 3555-86-0
2-benzoylphloroglucinol

Conditions

Conditions	Yield
Stage #1: 2,4,6-trimethoxybenzophenone With boron tribromide In dichloromethane at -78 - 20℃; for 48h; Inert atmosphere; Stage #2: With water In dichloromethane at 0 - 20℃; for 1.3h;	A 4% B 52%

: 108-73-6
3,5-dihydroxyphenol

: 14210-97-0
1,4-dibenzoyloxybenzene

A: 2050-37-5
2,5-dihydroxybenzophenone

B: 3555-86-0
2-benzoylphloroglucinol

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In benzene for 0.5h; cross Fries reaction; microwave irradiation;	A 50% B 40%

...Expand

: 108-73-6
3,5-dihydroxyphenol

: 93-99-2
benzoic acid phenyl ester

: 3555-86-0
2-benzoylphloroglucinol

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In benzene for 3h; crossover Friess rearrangement; Heating;	25%

: 2-(α-phenylimino-benzyl)-phloroglucinol

: 3555-86-0
2-benzoylphloroglucinol

Conditions

Conditions	Yield
With hydrogenchloride

: 108-73-6
3,5-dihydroxyphenol

: 100-47-0
benzonitrile

: 3555-86-0
2-benzoylphloroglucinol

Conditions

Conditions	Yield
With hydrogenchloride; diethyl ether; zinc(II) chloride Erhitzen des Reaktionsprodukts mit Wasser;
With diethyl ether
With hydrogenchloride; diethyl ether; zinc(II) chloride Man verwandelt das ausgeschiedene Ketimidhydrochlorid in das Sulfat und kocht dieses mit der 20-fachen Menge Wasser; Ausbeute 65prozent der Theorie;

: 15148-46-6
7-Phenyl-3,5,7-trioxoheptansaeuremethylester

: 3555-86-0
2-benzoylphloroglucinol

Conditions

Conditions	Yield
With sodium hydroxide at -5℃;

: 20851-38-1
4-hydroxy-6-(2-oxo-2-phenylethyl)-2H-pyran-2-one

: 3555-86-0
2-benzoylphloroglucinol

Conditions

Conditions	Yield
With lithium hydride

: 2,4,6-trihydroxy-benzophenone-imine; hydrochloride

: 3555-86-0
2-benzoylphloroglucinol

Conditions

Conditions	Yield
With water for 1.5h; Heating;

Raw Materials

3770-80-7

108-73-6

20851-38-1

93-99-2

621-23-8

98-88-4

100-47-0

83-30-7

Downstream Products

108-73-6

65-85-0

7758-73-8

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Specification

The Methanone,phenyl(2,4,6-trihydroxyphenyl)-, with the CAS registry number 3555-86-0, is also known as 2,4,6-trihydroxybenzophenone. It belongs to the product category of Aromatic Benzophenones & Derivatives (substituted). Its EINECS number is 222-615-5. This chemical's molecular formula is C₁₃H₁₀O₄and molecular weight is 230.22. What's more, its systematic name is phenyl(2,4,6-trihydroxyphenyl)methanone.

Physical properties of Methanone,phenyl(2,4,6-trihydroxyphenyl)- are: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 2.97; (5)ACD/BCF (pH 5.5): 259.39; (6)ACD/BCF (pH 7.4): 80.58; (7)ACD/KOC (pH 5.5): 1846.03; (8)ACD/KOC (pH 7.4): 573.46; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 61.69 cm³; (15)Molar Volume: 162.8 cm³; (16)Surface Tension: 70.5 dyne/cm; (17)Density: 1.413 g/cm³; (18)Flash Point: 213.7 °C; (19)Enthalpy of Vaporization: 68.37 kJ/mol; (20)Boiling Point: 406.4 °C at 760 mmHg; (21)Vapour Pressure: 3.48E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by benzene-1,3,5-triol, 1,4-bis-benzoyloxy-benzene by microwave irradiation. This reaction will need reagent BF₃-etherate and solvent benzene with the reaction time of 30 min. It's a reaction of cross Fries reaction. The yield is about 40%.

Uses of Methanone,phenyl(2,4,6-trihydroxyphenyl)-: it can be used to produce 1-(3-benzoyl-2,4,6-trihydroxy-phenyl)-ethanone. It will need reagent BF₃. The yield is about 76%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(O)cc(O)cc1O)c2ccccc2
(2)InChI: InChI=1S/C13H10O4/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,14-16H
(3)InChIKey: CPEXFJVZFNYXGU-UHFFFAOYSA-N