1,2,4-Benzenetriol supplier

Name
1,2,4-Benzenetriol
EINECS 208-575-1
CAS No. 533-73-3
Article Data79
CAS DataBase
Density 1.488
Solubility freely soluble in water
Melting Point 140 ºC
Formula C₆H₆O₃
Boiling Point 132.9 °C at 760 mmHg
Molecular Weight 126.112
Flash Point 34.2 °C
Transport Information
Appearance Gray powder
Safety 26-39-36/37/39-22
Risk Codes 22-37/38-41-36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms 1,2,4-Trihydroxybenzene;1,3,4-Benzenetriol;1,3,4-Trihydroxybenzene;2,5-Dihydroxyphenol;2-Hydroxy-1,4-hydroquinone;2-Hydroxy-p-benzohydroquinone;2-Hydroxyhydroquinone;4-Hydroxycatechol;HHQ;Hydroxyhydroquinone;NSC 2818;
PSA 60.69000
LogP 0.80340

Synthetic route

: 613-03-6
1,2,4-triacetoxybenzene

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
With hydrogenchloride; water In methanol for 7h; Reagent/catalyst; Reflux;	98%
With hydrogenchloride; methanol
With acetic acid

: 95-01-2
2,4-Dihydroxybenzaldehyde

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
With dihydrogen peroxide at 20℃; for 0.833333h; Dakin Phenol Oxidation; Green chemistry;	96%
With dihydrogen peroxide; sodium carbonate In tetrahydrofuran; water at 0 - 20℃; for 3h;	85%

: 1190844-34-8
(4S,5R,6S)-4,5,6-trihydroxy-2-cyclohexene-1-one

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
In water at 170℃; for 2h; Inert atmosphere;	93%

: 7647-01-0
hydrogenchloride

: 187221-63-2
triphenylantimony m-hydroxy-o-phenylenedioxide

A: 533-73-3
1,2,4-Trihydroxybenzene

B: 594-31-0, 34716-91-1, 20265-29-6
triphenylantimony dichloride

Conditions

Conditions	Yield
heating (3 h, water bath); soln. pouring into Petri dish, solid extraction by benzene;	A 78% B 86%

...Expand

: 530-59-6
trans-3,5-dimethoxy-4-hydroxycinnamic acid

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
With hydrogenchloride; water at 250℃; under 37503.8 Torr; for 3h; Sealed tube; Inert atmosphere;	57%

: 305-01-1
aesculetin

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
With hydrogenchloride; water at 250℃; under 37503.8 Torr; for 3h; Reagent/catalyst; Sealed tube; Inert atmosphere;	56%

: 108-46-3
recorcinol

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
With <(Ce2(p-tert-butylcalix(8)arene))(Me2SO)5>*2Me2SO; dihydrogen peroxide In acetonitrile for 5h; Ambient temperature;	42%
With 2,6-dichloroquinone-4-chloroimide; sodium acetate; acetic acid
With water for 0.166667h;

: 123-31-9
hydroquinone

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
With <(Ce2(p-tert-butylcalix(8)arene))(Me2SO)5>*2Me2SO; dihydrogen peroxide In acetonitrile for 5h; Ambient temperature;	39%
With sodium hydroxide
With oxygen; iron(III) In water pH=2.0; Kinetics; hydroxylation; Electrochemical reaction;
With titanium(IV) oxide In water at 30℃; Mechanism; Time; UV-irradiation;
Multi-step reaction with 3 steps 1: iodine; dihydrogen peroxide / water; sulfuric acid / 30 - 50 °C 2: sulfuric acid / 0.5 h / 25 - 50 °C 3: hydrogenchloride; water / methanol / 7 h / Reflux View Scheme

: 78963-40-3
2L-(2,4/3,5)-2,3,4,5-tetrahydroxycyclohexan-1-one

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
With phosphoric acid In water at 125℃; for 12h;	39%
In water at 170℃; for 2h; Product distribution / selectivity; Inert atmosphere; Autoclave;	95 %Chromat.

: 99-50-3
3,4-Dihydroxybenzoic acid

A: 2474-72-8
hydroxyquinone

B: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
With air; methylene blue In methanol for 12h; Product distribution; Mechanism; Irradiation;	A 15% B 35%

: 89-86-1
4-hydroxysalicylic acid

A: 2474-72-8
hydroxyquinone

B: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
With air; methylene blue In methanol for 12h; Product distribution; Mechanism; Irradiation;	A 15% B 35%

: 112473-07-1
4,4-bis(ethylthio)-1,3-cyclohexanedione

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
With mercury dichloride In methanol; water for 5h; Ambient temperature;	32%
With acetic acid; mercury dichloride 1.) aqueous MeOH, r.t., 2.) reflux, 1 h; Yield given. Multistep reaction;

: 67-47-0
5-hydroxymethyl-2-furfuraldehyde

A: 98-01-1
furfural

B: 533-73-3
1,2,4-Trihydroxybenzene

C: 123-76-2
levulinic acid

D: 123-31-9
hydroquinone

Conditions

Conditions	Yield
In water at 330℃; under 210017 Torr; for 0.075h; Further byproducts given. Yields of byproduct given;	A n/a B 25% C n/a D n/a

...Expand

: 67-47-0
5-hydroxymethyl-2-furfuraldehyde

A: 98-01-1
furfural

B: 533-73-3
1,2,4-Trihydroxybenzene

C: 123-76-2
levulinic acid

D: 123-31-9
hydroquinone

E: 87-66-1
2-hydroxyresorcinol

Conditions

Conditions	Yield
In water at 330℃; under 210017 Torr; for 0.075h; other temperatures, other reaction times, other educt;	A n/a B 25% C n/a D n/a E n/a

...Expand

: 78963-40-3
2L-(2,4/3,5)-2,3,4,5-tetrahydroxycyclohexan-1-one

A: 533-73-3
1,2,4-Trihydroxybenzene

B: 120-80-9
benzene-1,2-diol

Conditions

Conditions	Yield
With zinc In acetic acid Product distribution; Further Variations:; Reagents; Temperatures; reductiv dehydration; reflux;	A n/a B 18%

: 7660-25-5
D-fructose

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
In water at 330℃; for 0.0513889h;	9%

: 135-77-3
1,2,4-trimethoxy-benzene

: 628-13-7
pyridine hydrochloride

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
at 200 - 220℃;

: 135-77-3
1,2,4-trimethoxy-benzene

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
With pyridine hydrochloride at 200 - 220℃;

: 610-90-2
2,4,5-trihydroxybenzoic acid

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
at 220℃;

: 106-51-4
p-benzoquinone

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
ueber mehrere Stufen;
Multi-step reaction with 2 steps 1: sulfuric acid / 0.5 h / 25 - 50 °C 2: hydrogenchloride; water / methanol / 7 h / Reflux View Scheme
Multi-step reaction with 2 steps 1: sulfuric acid; acetic acid / 40 - 50 °C 2: hydrogenchloride; water / methanol / 7 h / Reflux View Scheme

: 139-85-5
3,4-dihydroxybenzaldehyde

: 533-73-3
1,2,4-Trihydroxybenzene

: 10545-14-9
1,2,4-Tris-(bis-trifluormethyl-aminooxy)-benzol

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
With potassium hydroxide

: 67-47-0
5-hydroxymethyl-2-furfuraldehyde

A: 98-01-1
furfural

B: 620-02-0
5-Methylfurfural

C: 591-12-8
5-methyl-2-furanone

D: 2474-72-8
hydroxyquinone

E: 533-73-3
1,2,4-Trihydroxybenzene

F: 123-76-2
levulinic acid

Conditions

Conditions	Yield
With water at 126.9℃; under 206266 Torr; Product distribution; Kinetics; Thermodynamic data; Ea, various water densities;

...Expand

: 133-99-3, 490-37-9, 2152-98-9, 4482-75-1, 5965-66-2, 13299-27-9, 13360-52-6, 14641-93-1, 15548-43-3, 16462-44-5, 16984-36-4, 16984-38-6, 20869-27-6, 22688-72-8, 27452-49-9, 29276-55-9, 30608-12-9, 34481-13-5, 37169-60-1, 37169-64-5, 64234-01-1, 64234-02-2, 75281-88-8, 80446-85-1, 84413-57-0, 92344-56-4, 93221-87-5, 93301-77-0, 94799-29-8, 100427-98-3, 100428-00-0, 101312-82-7, 102046-24-2, 102046-25-3, 109432-00-0, 109432-02-2, 109432-04-4, 109432-08-8, 135268-49-4, 138231-26-2, 140461-59-2, 145414-22-8, 145414-26-2, 146339-75-5, 146339-76-6, 149116-55-2, 528-50-7
Cellobiose

A: 64-18-6
formic acid

B: 533-73-3
1,2,4-Trihydroxybenzene

C: 40460-44-4
glycolaldehyde hydrate

D: 64-19-7
acetic acid

E: 116-09-6
hydroxy-2-propanone

F: 87-66-1
2-hydroxyresorcinol

Conditions

Conditions	Yield
at 300℃; under 1.5 Torr; for 0.5h; Mechanism; also with cellobiitol and other (13)C labeled glucans;

...Expand

: protonated cycloheptaamylose

A: 533-73-3
1,2,4-Trihydroxybenzene

B: 498-07-7, 644-76-8, 10339-41-0, 10339-42-1, 13051-71-3, 14059-68-8, 14059-73-5, 14168-65-1, 14274-90-9, 22224-56-2, 22658-88-4, 42744-19-4, 60619-47-8, 67999-95-5, 107795-40-4, 129097-81-0
1,6-anhydro-β-D-glucopyranose

C: 64-19-7
acetic acid

D: 141-46-8
Glycolaldehyde

E: 116-09-6
hydroxy-2-propanone

F: 87-66-1
2-hydroxyresorcinol

Conditions

Conditions	Yield
With sodium chloride at 300℃; under 2 Torr; for 1h; Product distribution; other temperatures, other reaction times, or without 1percent aq. NaCl;	A 1.1 % Chromat. B n/a C 3.7 % Spectr. D 12.8 % Spectr. E 1.6 % Spectr. F 0.4 % Chromat.

...Expand

: 106-48-9
4-chloro-phenol

A: 2138-22-9
4-chloro-1,2-benzenediol

B: 2474-72-8
hydroxyquinone

C: 533-73-3
1,2,4-Trihydroxybenzene

D: 123-31-9
hydroquinone

E: 106-51-4
p-benzoquinone

Conditions

Conditions	Yield
With oxygen In water Product distribution; Irradiation;

...Expand

: 71-43-2
benzene

A: 1739-18-0
[18O]phenol

B: 533-73-3
1,2,4-Trihydroxybenzene

C: 123-31-9
hydroquinone

D: 106-51-4
p-benzoquinone

E: 108-95-2
phenol

Conditions

Conditions	Yield
With dioxygen-(16)O; 4-pentafluorophenyl perfluoro biphenyl; 18O-labeled water In acetonitrile; benzene Product distribution; Mechanism; Irradiation; ratio of C6H518OH to C6H5OH;

...Expand

: 108-95-2
phenol

A: 2474-72-8
hydroxyquinone

B: 533-73-3
1,2,4-Trihydroxybenzene

C: 120-80-9
benzene-1,2-diol

D: 123-31-9
hydroquinone

E: 106-51-4
p-benzoquinone

F: 87-66-1
2-hydroxyresorcinol

Conditions

Conditions	Yield
With oxygen; titanium(IV) oxide In water at 25℃; Product distribution; Quantum yield; Mechanism; Irradiation; various wavelengths, other catalysts;

...Expand

: 29873-12-9
1,2,4-Tris-(prop-1-enyloxy)-benzol

: 533-73-3
1,2,4-Trihydroxybenzene

Conditions

Conditions	Yield
With hydrogenchloride

: 108-46-3
recorcinol

A: 533-73-3
1,2,4-Trihydroxybenzene

B: 698-31-7
4-nitroso-1,3-benzenediol

C: 3163-07-3
4-nitroresorcinol

D: 87-66-1
2-hydroxyresorcinol

Conditions

Conditions	Yield
With potassium nitrate In water pH=5.7; Quantum yield; Kinetics; Further Variations:; Reagents; pH-values; wavelength; phototransformation; Irradiation;

...Expand

: 533-73-3
1,2,4-Trihydroxybenzene

: 77-78-1
dimethyl sulfate

: 135-77-3
1,2,4-trimethoxy-benzene

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 20℃; for 12h;	99%
With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 16h; Inert atmosphere;	96%
With sodium hydroxide

: 533-73-3
1,2,4-Trihydroxybenzene

: 2746-25-0
p-Methoxybenzyl bromide

: 1229578-67-9
1,2,4-tris(p-methoxybenzyloxy)benzene

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 0 - 20℃; for 18.3333h;	97.1%
With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 18h; Cooling with ice;	97.1%

: 533-73-3
1,2,4-Trihydroxybenzene

: 141-97-9
ethyl acetoacetate

: 529-84-0
6,7-dihydroxy-4-methylcoumarin

Conditions

Conditions	Yield
With trifluoroacetic acid at 100℃; for 0.5h; Pechmann condensation; Microwave irradiation; regioselective reaction;	97%
With zirconium(IV) chloride In toluene at 80℃; Pechmann Condensation; Inert atmosphere;	95%
With phosphoric acid at 60℃;	90%

: 13089-11-7
methyl 3,3,3-trifluoropyruvate

: 533-73-3
1,2,4-Trihydroxybenzene

: 115167-56-1
3,3,3-Trifluoro-2-hydroxy-2-(2,4,5-trihydroxy-phenyl)-propionic acid methyl ester

Conditions

Conditions	Yield
In benzene at 80℃; for 1h;	95%

: 533-73-3
1,2,4-Trihydroxybenzene

: 124414-01-3
tert-butyl[(4,4-dimethoxycyclohexyl)oxy]dimethylsilane

: 4′-[(tert-butyldimethylsilyl)oxy]spiro[benzo[d][1,3]dioxole-2,1′-cyclohexan]-5-ol

Conditions

Conditions	Yield
With pyridinium p-toluenesulfonate In toluene Inert atmosphere; Schlenk technique; Reflux;	95%

: 533-73-3
1,2,4-Trihydroxybenzene

2-(2'-benzothiazolyl)acetate: 2-(2'-benzothiazolyl)acetate

: C16H9NO4S

Conditions

Conditions	Yield
With piperidine In methanol for 5h; Reflux;	95%

: 533-73-3
1,2,4-Trihydroxybenzene

: 1655-07-8
ethyl 2-oxocyclohexane carboxylate

: 2,3-dihydroxy-7,8,9,10-tetrahydro-6H-benzo[c]-chromen-6-one

Conditions

Conditions	Yield
With zirconium(IV) chloride In toluene at 80℃; Pechmann Condensation; Inert atmosphere;	92%

: 533-73-3
1,2,4-Trihydroxybenzene

: 141-97-9
ethyl acetoacetate

: 2107-76-8
4-methyl-5,7-dihydroxycoumarin

Conditions

Conditions	Yield
With nanosilica molybdic acid 2 In neat (no solvent) at 80℃; for 0.333333h; Pechmann Condensation; Green chemistry;	91%

: 541-47-9
3-Methylbutenoic acid

: 533-73-3
1,2,4-Trihydroxybenzene

: 6,7-dihydroxy-4,4-dimethylhydrocoumarin

Conditions

Conditions	Yield
	86%

: 533-73-3
1,2,4-Trihydroxybenzene

: 3623-15-2
phenyl propargyl ketone

: 6,7-dihydroxy-2-phenylbenzopyrylium hexafluorophosphate

Conditions

Conditions	Yield
With hexafluorophosphoric acid In acetic acid at 20℃; for 48h;	86%

: 877-10-1
1,2,4,5-tetrachloro-3,6-dimethyl-benzene

: 533-73-3
1,2,4-Trihydroxybenzene

: 78-39-7
Triethyl orthoacetate

: 2-Ethoxy-5-hydroxy-2-methyl-1,3-dioxolane

Conditions

Conditions	Yield
	86%

...Expand

: 533-73-3
1,2,4-Trihydroxybenzene

: 1610473-86-3
2-chloro-5-(dichlorophosphanyloxy)-1,3,2-benzodioxaphosphole

Conditions

Conditions	Yield
With phosphorus trichloride	85%
With phosphorus trichloride In neat (no solvent) Inert atmosphere;	85%
With phosphorus trichloride

: 533-73-3
1,2,4-Trihydroxybenzene

: 70-11-1
α-bromoacetophenone

: 1320354-56-0
C30H24O6

Conditions

Conditions	Yield
With triethylamine at 20℃;	84.11%

: 334-48-5
1-decanoic acid

: 533-73-3
1,2,4-Trihydroxybenzene

: 3,4-dihydroxyphenyl n-decanoate

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In tetrahydrofuran at 0℃; for 20h;	84%
With dicyclohexyl-carbodiimide In tetrahydrofuran at 0℃; for 20h;

: 638-07-3
ethyl (2-chloroaceto)acetate

: 533-73-3
1,2,4-Trihydroxybenzene

: 809234-33-1
4-chloromethyl-5,7-dihydroxy-chromen-2-one

Conditions

Conditions	Yield
With nanosilica molybdic acid 2 In neat (no solvent) at 80℃; for 0.333333h; Pechmann Condensation; Green chemistry;	84%

: 5292-43-3
bromoacetic acid tert-butyl ester

: 533-73-3
1,2,4-Trihydroxybenzene

: (2,5-bis-tert-butoxycarbonylmethoxy-phenoxy)-acetic acid tert-butyl ester

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide for 1h; Williamson reaction; Heating;	81%

: 533-73-3
1,2,4-Trihydroxybenzene

: 76625-61-1
[1,1′-biphenyl]-2,2′,4,4′,5,5′-hexaol

Conditions

Conditions	Yield
With oxygen; Y2(Sn0.7Ce0.3)2O7 In water at 100℃; for 12h; Reagent/catalyst; Temperature;	80.2%
With air In water for 20h; Time; Solvent; Reflux;
With oxygen In water at 100℃; for 72h; Green chemistry;	94.4 %Chromat.

: 533-73-3
1,2,4-Trihydroxybenzene

: 77-76-9
2,2-dimethoxy-propane

: 73447-99-1
2,2-Dimethyl-5-hydroxybenzo[1,3]dioxole

Conditions

Conditions	Yield
Stage #1: 1,2,4-Trihydroxybenzene With pyridinium p-toluenesulfonate In toluene Reflux; Stage #2: 2,2-dimethoxy-propane In toluene for 1.83333h;	80%
With pyridinium p-toluenesulfonate In toluene for 1.83333h; Reflux;	57%
Stage #1: 1,2,4-Trihydroxybenzene; 2,2-dimethoxy-propane With toluene-4-sulfonic acid In toluene at 130℃; for 1.5h; Stage #2: With sodium methylate In methanol; toluene at 20℃;	28.9%
With pyridinium p-toluenesulfonate In toluene at 110℃; for 2h;
With pyridinium p-toluenesulfonate In ethyl acetate at 85℃; Inert atmosphere;

: 533-73-3
1,2,4-Trihydroxybenzene

: 104-47-2
p-methoxybenzylnitrile

: 76095-38-0
1-(2,4,5-trihydroxyphenyl)-2-(4'-methoxyphenyl)ethanone

Conditions

Conditions	Yield
Stage #1: 1,2,4-Trihydroxybenzene; p-methoxybenzylnitrile With hydrogenchloride; zinc(II) chloride In diethyl ether at 0 - 20℃; Stage #2: With water In methanol Reflux;	79.6%
With hydrogenchloride; zinc(II) chloride at 0℃;

: 541-47-9
3-Methylbutenoic acid

: 533-73-3
1,2,4-Trihydroxybenzene

: 76348-95-3
2,2-Dimethyl-6,7-dihydroxy-4-chromanone

Conditions

Conditions	Yield
With zinc(II) chloride; trichlorophosphate at 50℃; for 5h;	79%

: dichloro(hydrotris(3,5-dimethyl-1-pyrazolyl)borato)oxomolybdenum

: 533-73-3
1,2,4-Trihydroxybenzene

: (hydrotris(3,5-dimethyl-1-pyrazolyl)borato)oxomolybdenum(V)(O2C6H3-4-OH)

Conditions

Conditions	Yield
With triethylamine In toluene (N2); addn. of toluene and triethyl amine (excess) to a mixture of Mo-complex and 1,2,4-benzenetriol; heating to 80°C with vigorous stirring; helding there for 1 h; evapn. to dryness (vac.); adsorption chromy. on silica gel; recrystn. from dichloromethane/hexane;	79%

: 2316-26-9
3,4-dimethoxycinnamic acid

: 533-73-3
1,2,4-Trihydroxybenzene

: 6,8-dihydroxy-4-(3,4-dimethoxyphenyl)-3,4-dihydrocoumarin

Conditions

Conditions	Yield
With sulfated montmorillonite K-10 In nitrobenzene at 100℃;	79%
With montmorillonite K-10 at 100℃;

: 533-73-3
1,2,4-Trihydroxybenzene

: 491-05-4, 4017-76-9, 4017-77-0, 65733-29-1, 65733-30-4, 74410-00-7, 96555-02-1, 115362-62-4, 141316-25-8
(+)-p-menthadiene-3-ol

: C16H20O3

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate In dichloromethane at 20℃; for 0.25h; Inert atmosphere; diastereoselective reaction;	76%

: 533-73-3
1,2,4-Trihydroxybenzene

: 94-02-0
ethyl 3-oxo-3-phenylpropionate

: 7758-73-8
5,7-dihydroxy-4-phenyl-2H-1-benzopyran-2-one

Conditions

Conditions	Yield
With nanosilica molybdic acid 2 In neat (no solvent) at 80℃; for 0.333333h; Pechmann Condensation; Green chemistry;	76%

: 533-73-3
1,2,4-Trihydroxybenzene

: 95377-69-8
4-(1H-imidazo[4,5-b]pyridin-2-yl)aniline

: 4-{[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]diazenyl}benzene-1,3-diol

Conditions

Conditions	Yield
Stage #1: 4-(1H-imidazo[4,5-b]pyridin-2-yl)aniline With hydrogenchloride; sodium nitrite In water at 0 - 5℃; Stage #2: 1,2,4-Trihydroxybenzene With sodium hydroxide In water at 0 - 5℃; for 2h;	76%

: 14191-95-8
4-cyanomethylphenol

: 533-73-3
1,2,4-Trihydroxybenzene

: 76095-37-9
1-(2,4,5-trihydroxyphenyl)-2-(4'-hydroxyphenyl)ethanone

Conditions

Conditions	Yield
Stage #1: 4-cyanomethylphenol; 1,2,4-Trihydroxybenzene With hydrogenchloride; zinc(II) chloride In diethyl ether at 0 - 20℃; Stage #2: With water In methanol Reflux;	75.4%
With hydrogenchloride; zinc(II) chloride at 0℃;

1,2,4-Benzenetriol Consensus Reports

EPA Genetic Toxicology Program. Reported in EPA TSCA Inventory.

1,2,4-Benzenetriol Specification

The 1,2,4-Benzenetriol with cas registry number of 533-73-3 is also known as Hydroxyhydroquinone; 1,2,4-Trihydroxybenzene. Both its systematic name and IUPAC name are the same which is called benzene-1,2,4-triol. This chemical is a kind of categories in Aromatic Hydrocarbons (substituted) & Derivatives; Aromatics Compounds; Metabolites & Impurities. It is stable under normal temperatures and pressures with appearance of gray powder. It is also sensitive to air and incompatibl with oxidizing materials, strong oxidizing agents, strong oxidizing agents, bases, acid chlorides, acids, water reactive substances, acid anhydrides. In addition, it has EINECS registry number which is 208-575-1.

The physical properties about this chemical are: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.05; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.61; (8)ACD/KOC (pH 7.4): 25.41; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.676; (13)Molar Refractivity: 31.89 cm³; (14)Molar Volume: 84.7 cm³; (15)Surface Tension: 78.6 dyne/cm; (16)Density: 1.488 g/cm³; (17)Flash Point: 176.9 °C; (18)Enthalpy of Vaporization: 60.03 kJ/mol; (19)Boiling Point: 334.5 °C at 760 mmHg; (20)Vapour Pressure: 6.57E-05 mmHg at 25°C.

Preparation of 1,2,4-Benzenetriol: it can be made by benzene-1,3-diol by using reagents H₂O₂, <(Ce₂(p-tert-butylcalix (8) arene)) (Me₂SO) 5> * 2Me₂SO and solvent acetonitrile. The reaction occurs at ambient temperature for 5 hours with 42% yield.

Uses of 1,2,4-Benzenetriol: it can be used to prepare 4-hydroxycyclohexane-1,3-dione. The reaction will need reagents KOH, H2, catalyst 10percentPdCl2 / C and solvent Methanol at temperature 100 ℃ under pressure 60800. It will need 3 hours with 70% yield.

When you are using this chemical, please be cautious about it as the following:
Poison by subcutaneous and intraperitoneal routes. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. As a chemical, it is harmful by inhalation, in contact with skin and if swallowed and irritating to eyes, respiratory system and skin. Therefore, when you are using this chemical, wear suitable protective clothing, gloves and eye/face protection, and do not breathe dust. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cc(O)c(O)cc1;
(2)InChI: InChI=1/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H;
(3)InChIKey: GGNQRNBDZQJCCN-UHFFFAOYAX

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	25mg/kg (25mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	National Technical Information Service. Vol. OTS0540939,
mouse	LD50	subcutaneous	122mg/kg (122mg/kg)		Industrial Health. Vol. 5, Pg. 143, 1967.
mouse	LDLo	oral	10mg/kg (10mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA	National Technical Information Service. Vol. OTS0540939,

Product Name

1,2,4-Benzenetriol

Synthetic route

1,2,4-Benzenetriol Consensus Reports

1,2,4-Benzenetriol Specification

Related Products

Hot Products