Product Name

  • Name

    Phloroglucinol dihydrate

  • EINECS 203-611-2
  • CAS No. 6099-90-7
  • Article Data2
  • CAS DataBase
  • Density
  • Solubility slightly soluble in water
  • Melting Point 218-221 °C (A)(lit.)
  • Formula C6H10O5
  • Boiling Point 331.1 °C at 760 mmHg
  • Molecular Weight 162.142
  • Flash Point 174.9 °C
  • Transport Information
  • Appearance off-white powder
  • Safety 37/39-26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 6099-90-7 (Phloroglucinol dihydrate)
  • Hazard Symbols IrritantXi
  • Synonyms 1,3,5-Benzenetriol,dihydrate (9CI);Phloroglucinol, dihydrate (8CI);1,3,5-Benzènetriol dihydrate;1,3,5-benzenetriol, hydrate (1:2);1,3,5-Benzoltrioldihydrat;Benzene-1,3,5-triol dihydrate;Benzol-1,3,5-trioldihydrat;
  • PSA 79.15000
  • LogP 0.67480

Synthetic route

tetrahydrofuran
109-99-9

tetrahydrofuran

1,1'-bis(ethenyl-4-pyridyl)ferrocene
222165-10-8

1,1'-bis(ethenyl-4-pyridyl)ferrocene

1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

1,1'-bis(ethenyl-4-pyridyl)ferrocene phlorglucinol tetrahydrofuran

1,1'-bis(ethenyl-4-pyridyl)ferrocene phlorglucinol tetrahydrofuran

Conditions
ConditionsYield
In ethanol at room temp. for 7 d; elem. anal.;100%
ethanol
64-17-5

ethanol

1,1'-bis(ethenyl-4-pyridyl)ferrocene
222165-10-8

1,1'-bis(ethenyl-4-pyridyl)ferrocene

1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

1,1'-bis(ethenyl-4-pyridyl)ferrocene phlorglucinol ethanol

1,1'-bis(ethenyl-4-pyridyl)ferrocene phlorglucinol ethanol

Conditions
ConditionsYield
In ethanol at room temp. for 7 d; elem. anal.;100%
1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

N,N-dimethyl-formamide
68-12-2, 33513-42-7

N,N-dimethyl-formamide

2,4,6-trihydroxybenzaldehyde
487-70-7

2,4,6-trihydroxybenzaldehyde

Conditions
ConditionsYield
With trichlorophosphate In ethyl acetate at 20℃; for 1h; Vilsmeier-Haack Formylation; Cooling with ice;98%
6-fluoroisatin
324-03-8

6-fluoroisatin

1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

acide 6-fluoro-1,3-dihydroacridine-9-carboxylique
82260-62-6

acide 6-fluoro-1,3-dihydroacridine-9-carboxylique

Conditions
ConditionsYield
With sodium hydroxide Heating;92%
7-fluoro-1H-indole-2,3-dione
317-20-4

7-fluoro-1H-indole-2,3-dione

1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

acide 5-fluoro-1,3-dihydroacridine-9-carboxylique
82260-61-5

acide 5-fluoro-1,3-dihydroacridine-9-carboxylique

Conditions
ConditionsYield
With sodium hydroxide for 5h; Heating;92%
1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

acetyl chloride
75-36-5

acetyl chloride

1,3,5-triacetyl-2,4,6-trihydroxybenzene
2161-87-7

1,3,5-triacetyl-2,4,6-trihydroxybenzene

Conditions
ConditionsYield
With aluminum (III) chloride for 1h; Reagent/catalyst; Time; Fries Phenol Ester Rearrangement; Reflux;91%
With aluminum (III) chloride for 1h; Reflux;91%
1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

ethyl 4,4,4-trifluoroacetoacetate
372-31-6

ethyl 4,4,4-trifluoroacetoacetate

5,7-Dihydroxy-4-trifluoromethylcoumarin
82747-44-2

5,7-Dihydroxy-4-trifluoromethylcoumarin

Conditions
ConditionsYield
With trifluoroacetic acid for 15h; Heating;80%
1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

dihydro-2,2 oxo-3 F-octanoate d'ethyle
82747-28-2

dihydro-2,2 oxo-3 F-octanoate d'ethyle

F-pentyl-4 dihydroxy-5,7 coumarine

F-pentyl-4 dihydroxy-5,7 coumarine

Conditions
ConditionsYield
With trifluoroacetic acid for 15h; Heating;75%
1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

dihydro-2,2 oxo-3 F-decanoate d'ethyle
82747-29-3

dihydro-2,2 oxo-3 F-decanoate d'ethyle

F-heptyl-4 dihydroxy-5,7 coumarine

F-heptyl-4 dihydroxy-5,7 coumarine

Conditions
ConditionsYield
With trifluoroacetic acid for 15h; Heating;73%
5-fluoro-1H-indole-2,3-dione
443-69-6

5-fluoro-1H-indole-2,3-dione

1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

acide 7-fluoro-1,3-dihydroacridine-9-carboxylique
82260-63-7

acide 7-fluoro-1,3-dihydroacridine-9-carboxylique

Conditions
ConditionsYield
With sodium hydroxide Heating;72%
(2,2,3,3,4,4,4-heptafluorobutanoyl)acetic acid ethyl ester
336-62-9

(2,2,3,3,4,4,4-heptafluorobutanoyl)acetic acid ethyl ester

1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

F-propyl-4 dihydroxy-5,7 coumarine

F-propyl-4 dihydroxy-5,7 coumarine

Conditions
ConditionsYield
With trifluoroacetic acid for 15h; Heating;70%
indan-1,2,3-trione hydrate
485-47-2

indan-1,2,3-trione hydrate

1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

(trihydroxy-2,4,6 phenyl)-2 hydroxy-2 indanedione-1,3 monohydrate

(trihydroxy-2,4,6 phenyl)-2 hydroxy-2 indanedione-1,3 monohydrate

Conditions
ConditionsYield
In water for 0.1h; Heating;67%
ethyl butyroyl acetate
3249-68-1

ethyl butyroyl acetate

1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

5,7-dihydroxy-4-propylcoumarin
66346-59-6

5,7-dihydroxy-4-propylcoumarin

Conditions
ConditionsYield
With sulfuric acid In ethyl acetate
With sulfuric acid In ethyl acetate
With sulfuric acid In ethyl acetate
In ethyl acetate
With sulfuric acid In ethyl acetate
3,5-dihydroxyphenol
108-73-6

3,5-dihydroxyphenol

2,4,6-tribromophloroglucinol
3354-82-3

2,4,6-tribromophloroglucinol

1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

acryloyl chloride
814-68-6

acryloyl chloride

tribromophloroglucinol triacrylate
217825-79-1

tribromophloroglucinol triacrylate

Conditions
ConditionsYield
With bromine; triethylamine In n-heptane; dichloromethane; acetone; acetonitrile
1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

Ethyl 2-benzylacetoacetate
620-79-1

Ethyl 2-benzylacetoacetate

3-benzyl-5,7-dihydroxy-4-methyl-2H-chromen-2-one
219551-85-6

3-benzyl-5,7-dihydroxy-4-methyl-2H-chromen-2-one

Conditions
ConditionsYield
With hydrogenchloride In ethanol
With hydrogenchloride In ethanol
2,6-bis(hydroxymethyl)-4-methylphenol
91-04-3

2,6-bis(hydroxymethyl)-4-methylphenol

p-toluenesulfonic acid monohydrate
6192-52-5

p-toluenesulfonic acid monohydrate

1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

2,6-bis[(2,4,6-trihydroxyphenyl)methyl]-4-methylphenol

2,6-bis[(2,4,6-trihydroxyphenyl)methyl]-4-methylphenol

Conditions
ConditionsYield
In water
5-5-ferrocenylpyrimidine
597544-31-5

5-5-ferrocenylpyrimidine

1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

([5-ferrocenylpyrimidine]*phloroglucinol*2H2O)n

([5-ferrocenylpyrimidine]*phloroglucinol*2H2O)n

Conditions
ConditionsYield
In acetonitrile addn. of soln. of phloroglucinol*2H2O (1 equiv.) in MeCN to soln. of 5-ferrocenylpyrimidine (1 equiv.) in MeCN; crystn. for a few days at room temp. in air; elem. anal.;
1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

1,3,5-triacetyl-2,4,6-tris(5'-azidopentyloxy)benzene

1,3,5-triacetyl-2,4,6-tris(5'-azidopentyloxy)benzene

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: aluminum (III) chloride / 1 h / Reflux
2: potassium carbonate / acetonitrile / 48 h / Reflux
3: sodium azide / acetone; water / 8 h / Reflux
View Scheme
1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

1,3,5-triacetyl-2,4,6-tris(5'-aminopentyloxy)benzene trihydrochloride

1,3,5-triacetyl-2,4,6-tris(5'-aminopentyloxy)benzene trihydrochloride

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: aluminum (III) chloride / 1 h / Reflux
2.1: potassium carbonate / acetonitrile / 48 h / Reflux
3.1: sodium azide / acetone; water / 8 h / Reflux
4.1: ammonium chloride; zinc / water; ethanol / 0.25 h / Reflux
4.2: 3 h
View Scheme
1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

C33H51N3O9

C33H51N3O9

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: aluminum (III) chloride / 1 h / Reflux
2.1: potassium carbonate / acetonitrile / 48 h / Reflux
3.1: sodium azide / acetone; water / 8 h / Reflux
4.1: ammonium chloride; zinc / water; ethanol / 0.25 h / Reflux
4.2: 3 h
5.1: dmap; pyridine / 20 °C
View Scheme
1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

1-4,6-dihydroxy-2-methoxy-3-methylphenylbutan-1-one
478-48-8

1-4,6-dihydroxy-2-methoxy-3-methylphenylbutan-1-one

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: trichlorophosphate / ethyl acetate / 1 h / 20 °C / Cooling with ice
2.1: hydrogenchloride; zinc / ethyl acetate; diethyl ether / 0.17 h / Cooling with ice
3.1: aluminum (III) chloride / nitrobenzene / 0.5 h
3.2: 24 h / 65 °C / Inert atmosphere
4.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / tetrahydrofuran; dichloromethane / 3 h / Cooling with ice
5.1: potassium carbonate
6.1: sodium hydroxide / methanol; water / 2.5 h / 40 °C / Inert atmosphere
View Scheme
1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

2,4,6-trihydroxytoluene
88-03-9

2,4,6-trihydroxytoluene

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: trichlorophosphate / ethyl acetate / 1 h / 20 °C / Cooling with ice
2: hydrogenchloride; zinc / ethyl acetate; diethyl ether / 0.17 h / Cooling with ice
View Scheme
1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

1-(2,4,6-trihydroxy-3-methylphenyl)butan-1-one
1509-06-4

1-(2,4,6-trihydroxy-3-methylphenyl)butan-1-one

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: trichlorophosphate / ethyl acetate / 1 h / 20 °C / Cooling with ice
2.1: hydrogenchloride; zinc / ethyl acetate; diethyl ether / 0.17 h / Cooling with ice
3.1: aluminum (III) chloride / nitrobenzene / 0.5 h
3.2: 24 h / 65 °C / Inert atmosphere
View Scheme
1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

C19H26O6

C19H26O6

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: trichlorophosphate / ethyl acetate / 1 h / 20 °C / Cooling with ice
2.1: hydrogenchloride; zinc / ethyl acetate; diethyl ether / 0.17 h / Cooling with ice
3.1: aluminum (III) chloride / nitrobenzene / 0.5 h
3.2: 24 h / 65 °C / Inert atmosphere
4.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / tetrahydrofuran; dichloromethane / 3 h / Cooling with ice
View Scheme
1,3,5-Trihydroxybenzene dihydrate
6099-90-7

1,3,5-Trihydroxybenzene dihydrate

C20H28O6

C20H28O6

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1.1: trichlorophosphate / ethyl acetate / 1 h / 20 °C / Cooling with ice
2.1: hydrogenchloride; zinc / ethyl acetate; diethyl ether / 0.17 h / Cooling with ice
3.1: aluminum (III) chloride / nitrobenzene / 0.5 h
3.2: 24 h / 65 °C / Inert atmosphere
4.1: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / tetrahydrofuran; dichloromethane / 3 h / Cooling with ice
5.1: potassium carbonate
View Scheme

Phloroglucinol dihydrate Chemical Properties

Molecular Structure of Phloroglucinol (CAS NO.6099-90-7):

IUPAC Name: benzene-1,3,5-triol dihydrate
Molecular Formula: C6H10O5
Molecular Weight: 162.140600 g/mol
Melting Point: 218-221 °C (A)(lit.)
Storage temp: Store at RT
Water Solubility: slightly soluble
Sensitive: Light Sensitive
Merck: 14,7328
H bond acceptors: 3
H bond donors: 3
Freely Rotating Bonds: 3
Polar Surface Area: 27.69Å2
Flash Point: 174.9 °C
Enthalpy of Vaporization: 59.65 kJ/mol
Boiling Point: 331.1 °C at 760 mmHg
Vapour Pressure: 8.27E-05 mmHg at 25°C
Stability: Stable. Incompatible with acid chlorides, acid anhydrides, bases, oxidizing agents. Combustible
Categories of Phloroglucinol dehydrate (CAS NO.6099-90-7): Organic Building Blocks; Oxygen Compounds; Polyols

Phloroglucinol dihydrate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 302, 1950.

Phloroglucinol dihydrate Safety Profile

Safety Information of Phloroglucinol dehydrate (CAS NO.6099-90-7):
Hazard Codes: Xi
Risk Statements: 36/37/38
36/37/38:Irritating to eyes, respiratory system and skin 
Safety Statements: 37/39-26-36
37/39:Wear suitable gloves and eye/face protection
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:Wear suitable protective clothing      
WGK Germany: 2

Phloroglucinol dihydrate Specification

 Phloroglucinol dehydrate , with CAS number of 6099-90-7, can be called Benzol-1,3,5-trioldihydrat ; Benzene-1,3,5-triol dihydrate ; 1,3,5-Benzoltrioldihydrat ; 1,3,5-benzenetriol, hydrate (1:2) ; 1,3,5-Benzènetriol dihydrate ; Phloroglucinol, dihydrate (8CI) ; 1,3,5-Benzenetriol,dihydrate (9CI) . Phloroglucinol dehydrate (CAS NO.6099-90-7) is an important organic reagent, analytical reagent and pharmaceutical intermediate.

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