Phenolphthalein supplier

Name
Phenolphthalein
EINECS 201-004-7
CAS No. 77-09-8
Article Data45
CAS DataBase
Density 1.385 g/cm³
Solubility Water: <0.1 g/100 mL
Melting Point 258-263 °C
Formula C₂₀H₁₄O₄
Boiling Point 557.8 °C at 760 mmHg
Molecular Weight 318.329
Flash Point 206.5 °C
Transport Information UN 1993
Appearance White to light yellow crystal powder
Safety 45-36/37-33-24-16-7-36-26
Risk Codes 40-22-10-36/38-23/25-11-36/37/38
Molecular Structure
Hazard Symbols Xn,T,F,Xi
Synonyms Phenolphthalein(8Cl);3,3-Bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone;3,3-Bis(4-hydroxyphenyl)phthalide;3,3-Bis(p-hydroxyphenyl)phthalide;Euchessina;Koprol;Laxogen;Lilo;NSC 10464;NSC 215214;Phthalimetten;Phthalin;Purga;Purgen;Purgophen;Spulmako-lax;
PSA 66.76000
LogP 3.56010

Synthetic route

: 85-44-9
phthalic anhydride

: 108-95-2
phenol

: 77-09-8
phenolphthalein

Conditions

Conditions	Yield
With methanesulfonic acid at 90℃; for 5h;	94%
With Noccaea caerulescens extract at 80℃; for 0.25h;	90%
With mixed metal catalyst derived from Thlaspi at 80℃; for 0.0833333h; Friedel-Crafts Acylation;	90%

: 85-44-9
phthalic anhydride

: 108-95-2
phenol

A: 77-09-8
phenolphthalein

B: 596-24-7
spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one

Conditions

Conditions	Yield
With sulfuric acid at 115 - 120℃;

...Expand

: 509-77-3
3,3-bis(4-aminophenyl)isobenzofuran-1-(3H)-one

: 77-09-8
phenolphthalein

Conditions

Conditions	Yield
With potassium nitrite saure Loesung;

: 88-99-3
benzene-1,2-dicarboxylic acid

: 108-95-2
phenol

: 77-09-8
phenolphthalein

Conditions

Conditions	Yield
With tin(IV) chloride
With sulfuric acid

: 85-57-4
2-(4-hydroxy-benzoyl)-benzoic acid

: 108-95-2
phenol

: 77-09-8
phenolphthalein

Conditions

Conditions	Yield
at 180℃;

: 84755-69-1
phenolphthaleine glucuronide

: 77-09-8
phenolphthalein

Conditions

Conditions	Yield
With water at 37℃; for 0.75h; β-glucuronidase; addition of Mn2+, V5+, Ni2+, Co2+, Cu+, Ca2+, Cd2+, or Zn2+; influence of regucalcin; effect of dithiothreitol or dipicolinate;

: 1-(1-cyclohexenyl)-methyl-2-aminomethyl-pyrrolidine

: 5-methylsulphamoyl-2-methyl-2,3-dihydrobenzofuran-7-carbonyl chloride

: 77-09-8
phenolphthalein

Conditions

Conditions	Yield
With ammonia In chloroform

: 62625-15-4
phenolphthalein dibutyrate

: 77-09-8
phenolphthalein

Conditions

Conditions	Yield
With recombinant Arthrobacter globiformis carboxylesterase; water at 45℃; Enzymatic reaction;

: 83-44-3
Deoxycholic acid

: β-cyclodextrin phenolphthalein complex (1:1)

A: 37777-96-1
C24H40O4*C42H70O35

B: 77-09-8
phenolphthalein

Conditions

Conditions	Yield
at 25℃; pH=10.5; carbonate buffer;

...Expand

: 128-13-2
ursodeoxycholic acid

: β-cyclodextrin phenolphthalein complex (1:1)

A: 137078-96-7
C24H40O4*C42H70O35

B: 77-09-8
phenolphthalein

Conditions

Conditions	Yield
at 25℃; pH=10.5; carbonate buffer;

...Expand

: 85-44-9
phthalic anhydride

: 95-48-7
ortho-cresol

: 108-95-2
phenol

A: 77-09-8
phenolphthalein

B: 854-76-2
[3-(3'-methyl-4'-hydroxyphenyl)-3-(4''-hydroxyphenyl)phthalide]

C: 596-27-0
o-cresolphthalein

Conditions

Conditions	Yield
Stage #1: ortho-cresol; phenol With zinc(II) chloride In nitrobenzene at 50 - 60℃; Stage #2: phthalic anhydride With zinc(II) chloride In nitrobenzene at 120 - 130℃; for 4h; Overall yield = 34 %; Overall yield = 5.9 g;

...Expand

: 77-09-8
phenolphthalein

: 7440-44-0
pyrographite

: 150-76-5
4-methoxy-phenol

: 920-46-7
Methacryloyl chloride

: 81266-22-0
phenolphthalein Bis(methacrylate)

Conditions

Conditions	Yield
With hydrogenchloride; magnesium sulfate; triethylamine In dichloromethane; water	99.86%

...Expand

: 77-09-8
phenolphthalein

: 81-90-3
phenolphthalin

Conditions

Conditions	Yield
With sodium hydroxide; zinc In water for 96h; Heating;	99%
With palladium 10% on activated carbon; W(OTf)6; hydrogen; acetic acid at 50℃; under 760.051 Torr; for 12h;	94%
With palladium on activated carbon; W(OTf)6; hydrogen In acetic acid at 50℃; under 760.051 Torr; for 12h;	94%
Stage #1: phenolphthalein With sodium hydroxide In water for 0.5h; Stage #2: With zinc In water at 20 - 60℃;	26.3 mg

: 77-09-8
phenolphthalein

: 62-53-3
aniline

: 6607-41-6
2-phenyl-3,3-bis(4-hydroxyphenyl)-2-phthalimidine

Conditions

Conditions	Yield
Stage #1: aniline With hydrogenchloride In water for 1h; Dean-Stark; Inert atmosphere; Stage #2: phenolphthalein at 154℃; for 22h; Dean-Stark;	99%
With hydrogenchloride In water at 155 - 165℃; for 16h;	92%
Stage #1: phenolphthalein; aniline; hydrogenchloride at 150 - 171℃; for 13 - 46h; Stage #2: With sodium hydroxide; water Product distribution / selectivity;	91%

: 77-09-8
phenolphthalein

: (3-oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(4,1-phenylene) bis(sulfurofluoridate)

Conditions

Conditions	Yield
With fluorosulfonyl fluoride; triethylamine In dichloromethane at 20℃; for 18h; Sealed tube;	98%
Stage #1: phenolphthalein With triethylamine In dichloromethane Stage #2: With potassium fluoride; N,N`-sulfuryldiimidazole; trifluoroacetic acid In water at 20℃; for 18h;	87%
With fluorosulfonyl fluoride; triethylamine In dichloromethane at 20℃; for 12h;

: 77-09-8
phenolphthalein

: (3-oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(4,1-phenylene) bis(sulfurofluoridate)

Conditions

Conditions	Yield
With fluorosulfonyl fluoride; triethylamine In dichloromethane at 20℃; for 18h;	98%

: 77-09-8
phenolphthalein

: 70-34-8
2,4-Dinitrofluorobenzene

: C32H18N4O12

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;	98%

: 77-09-8
phenolphthalein

: 106-96-7
propargyl bromide

: 142457-74-7
3,3-bis(4-(prop-2-yn-1-yloxy)phenyl)isobenzofuran-1(3H)-one

Conditions

Conditions	Yield
With potassium carbonate In ethanol for 1h; Heating;	96%
Stage #1: phenolphthalein With potassium carbonate In dimethyl sulfoxide for 0.5h; Stage #2: propargyl bromide In dimethyl sulfoxide	80%

: 77-09-8
phenolphthalein

: 76-62-0
3,3-bis(3,5-dibromo-4-hydroxyphenyl)phthalide

Conditions

Conditions	Yield
With sulfuric acid; cis-(2-(1H-imidazol-2-yl)pyridine)-(2-(imidazol-2-yl)pyridine)dioxidovanadate(V) tris(aqua); dihydrogen peroxide; potassium bromide In methanol; water at 20℃; for 0.5h; pH=2 - 3;	96%
With benzyltriphenylphosphonium tribromide; calcium carbonate In methanol; dichloromethane at 20℃; for 1h;	92%
With 1-benzyl-1-aza-4-azoniabicyclo<2.2.2>octane bromide; calcium carbonate In methanol at 20℃; for 1.16667h;	88%
With bromine In ethanol; acetic acid Heating;

: 77-09-8
phenolphthalein

: 108-24-7
acetic anhydride

: 5449-84-3
phenolphthalein-4,4'-diyl diacetate

Conditions

Conditions	Yield
With Sulfate; titanium(IV) oxide In dichloromethane at 20℃; for 0.5h;	96%

: 31643-49-9
4-Nitrophthalonitrile

: 77-09-8
phenolphthalein

: 72742-00-8
[4,4'-(4,4'-(3-oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(4,1-phenylene)bis(oxy))]diphthalo nitrile

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 20℃; for 24h;	96%
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 8h;

: 39600-44-7
methyl N-phosphonomethylglycinate

: 77-09-8
phenolphthalein

: Disodium salt of N-phosphonomethylglycylhydroxamic acid

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; hydroxylamine In methanol	95%

: 77-09-8
phenolphthalein

: 85-57-4
2-(4-hydroxy-benzoyl)-benzoic acid

Conditions

Conditions	Yield
Stage #1: phenolphthalein With hydroxylamine hydrochloride; sodium hydroxide In water at 80℃; Stage #2: With sulfuric acid In water at 100℃;	92%
With potassium hydroxide; hydroxylamine hydrochloride at 80℃;	76%
Stage #1: phenolphthalein With potassium hydroxide; hydroxylamine hydrochloride In water at 80℃; for 0.0833333h; Stage #2: With acetic acid In ethanol; water Stage #3: With sulfuric acid In water for 2h; Heating / reflux;	76%
Stage #1: phenolphthalein With hydroxylamine hydrochloride; sodium hydroxide In water at 80℃; Stage #2: With sulfuric acid In water at 100℃;

: 81-64-1
1,4-dihydroxy-9,10-anthracenedione

: 77-09-8
phenolphthalein

: 369384-87-2
C35H20Cl2N4O4

polymer; monomer(s): 1,4-dihydroxyanthraquinone; phenolphthalein; 3,3'-{[6-(naphthalen-2-ylamino)-1,3,5-triazine-2,4-diyl]bis(oxy)}dinaphthalene-2-carbonyl chloride: polymer; monomer(s): 1,4-dihydroxyanthraquinone; phenolphthalein; 3,3'-{[6-(naphthalen-2-ylamino)-1,3,5-triazine-2,4-diyl]bis(oxy)}dinaphthalene-2-carbonyl chloride

Conditions

Conditions	Yield
In N,N-dimethyl-formamide Heating;	90%

...Expand

: 50-00-0
formaldehyd

: 919-30-2
3-aminopropyltriethoxysilane

: 77-09-8
phenolphthalein

: C42H60N2O10Si2

Conditions

Conditions	Yield
In ethanol; toluene at 80℃; for 5h; Mannich Aminomethylation;	89%

...Expand

: 77-09-8
phenolphthalein

: 18162-48-6
tert-butyldimethylsilyl chloride

: 3,3-bis(4-((tert-butyldimethylsilyl)oxy)phenyl)isobenzofuran-1(3H)-one

Conditions

Conditions	Yield
With 1H-imidazole In dichloromethane at 20℃;	89%

: 2038-03-1
4-(2-AMINOETHYL)MORPHOLINE

: 77-09-8
phenolphthalein

: C26H26N2O4

Conditions

Conditions	Yield
at 180℃; for 48h; Inert atmosphere;	89%

: 77-09-8
phenolphthalein

: 999-97-3
1,1,1,3,3,3-hexamethyl-disilazane

: 111653-48-6
C26H30O4Si2

Conditions

Conditions	Yield
With iodine at 20℃; for 0.8h; Neat (no solvent); Air atmosphere;	88%

: 3140-73-6
2-chloro-4,6-dimethoxy-1 ,3,5-triazine

: 77-09-8
phenolphthalein

: 1432754-89-6
3,3-bis(4-((4,6-dimethoxy-1,3,5-triazin-2-yl)oxy)phenyl)isobenzofuran-1(3H)-one

Conditions

Conditions	Yield
With potassium hydroxide In tetrahydrofuran at 20℃;	88%

: 77-09-8
phenolphthalein

: 33964-04-4
dinitrophenolphthalein

Conditions

Conditions	Yield
With yttrium(lll) nitrate hexahydrate In acetic acid at 20℃; for 1h;	87%
With nitric acid In acetic acid at 15 - 20℃; for 6h; Product distribution / selectivity;	78%

: 77-09-8
phenolphthalein

: 369384-87-2
C35H20Cl2N4O4

: 108-46-3
recorcinol

polymer; monomer(s): resorcinol; phenolphthalein; 3,3'-{[6-(naphthalen-2-ylamino)-1,3,5-triazine-2,4-diyl]bis(oxy)}dinaphthalene-2-carbonyl chloride: polymer; monomer(s): resorcinol; phenolphthalein; 3,3'-{[6-(naphthalen-2-ylamino)-1,3,5-triazine-2,4-diyl]bis(oxy)}dinaphthalene-2-carbonyl chloride

Conditions

Conditions	Yield
In N,N-dimethyl-formamide Heating;	85%

...Expand

: 77-09-8
phenolphthalein

: 6291-84-5
N-Methyl-1,3-propanediamine

: 1254084-09-7
3,3-bis(4-hydroxyphenyl)-2-(3-(methylamino)propyl)isoindolin-1-one

Conditions

Conditions	Yield
With hydrogenchloride In water for 24h; Reflux;	85%

: 77-09-8
phenolphthalein

: 141-43-5
ethanolamine

: 2-(2-hydroxyethyl)-3,3-bis(4-Hydroxyphenyl)Isoindolin-1-one

Conditions

Conditions	Yield
for 24h; Reflux;	83%

: 77-09-8
phenolphthalein

: 108-00-9
N,N-dimethylethylenediamine

: 1233359-56-2
C24H24N2O3

Conditions

Conditions	Yield
With hydrogenchloride for 24h; Reflux;	82%

: [Cp*RuOMe]2

: 77-09-8
phenolphthalein

: 926919-88-2
((HOC6H4)C8H4O(O)(C6H4O))Ru(C5(CH3)5)

Conditions

Conditions	Yield
In methanol (inert conditions); stirring soln. of ruthenium compd. and phenolphtalein in methanol at room temp. overnight; evapn., addn. of acetone, storing at -30°C, removal supernatant soln., NMR;	81%

: 1,2-di(aminophenyl)-o-carbaborane

: 77-09-8
phenolphthalein

: B10C2H10(C6H4NOC8H4(C6H4OH)2)2

Conditions

Conditions	Yield
In benzyl alcohol heating (150-170°C, 10 h); solvent removal (vac.), pptn. on pouring residue into benzene, filtration, drying (vac.); elem. anal.;	80%

: 80-05-7
BPA

: 77-09-8
phenolphthalein

: 369384-87-2
C35H20Cl2N4O4

polymer; monomer(s): bisphenol A; phenolphthalein; 3,3'-{[6-(naphthalen-2-ylamino)-1,3,5-triazine-2,4-diyl]bis(oxy)}dinaphthalene-2-carbonyl chloride: polymer; monomer(s): bisphenol A; phenolphthalein; 3,3'-{[6-(naphthalen-2-ylamino)-1,3,5-triazine-2,4-diyl]bis(oxy)}dinaphthalene-2-carbonyl chloride

Conditions

Conditions	Yield
In N,N-dimethyl-formamide Heating;	80%

...Expand

: 77-09-8
phenolphthalein

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

: 369384-87-2
C35H20Cl2N4O4

polymer; monomer(s): catechol; phenolphthalein; 3,3'-{[6-(naphthalen-2-ylamino)-1,3,5-triazine-2,4-diyl]bis(oxy)}dinaphthalene-2-carbonyl chloride: polymer; monomer(s): catechol; phenolphthalein; 3,3'-{[6-(naphthalen-2-ylamino)-1,3,5-triazine-2,4-diyl]bis(oxy)}dinaphthalene-2-carbonyl chloride

Conditions

Conditions	Yield
In N,N-dimethyl-formamide Heating;	80%

...Expand

: 77-09-8
phenolphthalein

: 369384-87-2
C35H20Cl2N4O4

polymer; monomers: 2-(β-naphthylamino)-4,6-bis-(2-naphthoxy-3-carbonyl chloride)-S-triazine; phenolphthalein: polymer; monomers: 2-(β-naphthylamino)-4,6-bis-(2-naphthoxy-3-carbonyl chloride)-S-triazine; phenolphthalein

Conditions

Conditions	Yield
With cetyltrimethylammonim bromide In N,N-dimethyl-formamide Heating;	79%

Phenolphthalein Consensus Reports

NTP 10th Report on Carcinogens. Reported in EPA TSCA Inventory.

Phenolphthalein Specification

The Phenolphthalein with CAS registry number of 77-09-8 is also known as 3,3-Bis(p-hydroxyphenyl)phthalide. The IUPAC name is 3,3-Bis(4-hydroxyphenyl)-2-benzofuran-1-one. It belongs to product categories of Furan&Benzofuran; Analytical Chemistry; Indicator (pH); pH Indicators; Chemistry; Indicator Solutions; Indicators; Titration; Indicator SolutionsStains and Dyes; P; Stains&Dyes, A to. Its EINECS registry number is 201-004-7. In addition, the formula is C₂₀H₁₄O₄ and the molecular weight is 318.32. This chemical is a white to light yellow crystal powder and should be stored in sealed containers.

Physical properties about Phenolphthalein are: (1)ACD/LogP: 2.63; (2)ACD/LogD (pH 5.5): 2.63; (3)ACD/LogD (pH 7.4): 2.62; (4)ACD/BCF (pH 5.5): 58.76; (5)ACD/BCF (pH 7.4): 57.9; (6)ACD/KOC (pH 5.5): 642.52; (7)ACD/KOC (pH 7.4): 633.18; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.693; (12)Molar Refractivity: 88.1 cm³; (13)Molar Volume: 229.7 cm³; (14)Surface Tension: 65 dyne/cm; (15)Density: 1.385 g/cm³; (16)Flash Point: 206.5 °C; (17)Enthalpy of Vaporization: 87.1 kJ/mol; (18)Boiling Point: 557.8 °C at 760 mmHg; (19)Vapour Pressure: 4.76E-13 mmHg at 25 °C.

Preparation of Phenolphthalein: it is prepared by condensation of phthalic anhydride with two equivalents of phenol under acidic conditions.

Phenolphthalein is prepared by condensation of phthalic anhydride with two equivalents of phenol under acidic conditions.

Uses of Phenolphthalein: it is used to produce 2-(4,4'-dihydroxy-benzhydryl)-benzoic acid. The reaction occurs with reagent zinc, sodium hydroxide and solvent H₂O with other condition of heating for 96 hours. The yield is about 99%. Besides, it is used to perform a presumptive blood test known as the Kastle-Meyer test. It also is used as an acid or base indicator and used in toys.

Phenolphthalein is used to produce 2-(4,4'-dihydroxy-benzhydryl)-benzoic acid.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. It is toxic by inhalation and if swallowed. However, there is limited evidence of a carcinogenic effect. What's more, it is highly flammable. During using it, wear suitable protective clothing and gloves. Avoid contact with skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell seek medical advice immediately and take precautionary measures against static discharges. After using it, keep container tightly closed away from sources of ignition.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
2. InChI: InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H
3. InChIKey: KJFMBFZCATUALV-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	29mg/kg (29mg/kg)	GASTROINTESTINAL: GASTRITIS GASTROINTESTINAL: NAUSEA OR VOMITING KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION	Postgraduate Medical Journal. Vol. 60, Pg. 491, 1984.
rat	LD	oral	> 1gm/kg (1000mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 25, 1953.
rat	LDLo	intraperitoneal	500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 30, 1953.

Product Name

Phenolphthalein

Synthetic route

Phenolphthalein Consensus Reports

Phenolphthalein Specification

Related Products

Hot Products