Terephthalic acid supplier

Name
Terephthalic acid
EINECS 262-050-1
CAS No. 100-21-0
Article Data717
CAS DataBase
Density 1.51 g/cm³
Solubility slightly soluble in water (0,017 g/L at 25°C)
Melting Point 300 °C
Formula C₈H₆O₄
Boiling Point 392.4 °C at 760 mmHg
Molecular Weight 166.133
Flash Point 260°C
Transport Information
Appearance white powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Terephthalicacid (7CI,8CI);1,4-Dicarboxybenzene;4-Carboxybenzoic acid;Amoco TA 33;NSC36973;QTA;TA 33LP;WR 16262;p-Benzenedicarboxylic acid;p-Carboxybenzoic acid;p-Dicarboxybenzene;p-Phthalic acid;PTA;1,4-Benzenedicarboxylic acid;
PSA 74.60000
LogP 1.08300

Synthetic route

: 106-42-3
para-xylene

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With ammonium acetate; water; hydrogen bromide; oxygen; manganese(II) acetate; cobalt(II) diacetate tetrahydrate; 1-n-butyl-3-methylimidazolim bromide; acetic acid at 200℃; under 30753.1 Torr; for 10h; Time; Temperature; Reagent/catalyst; Concentration; Inert atmosphere;	99.9%
With oxovanadium(IV) sulfate; hydrogen bromide; oxygen; acetic acid In water at 100℃; under 750.075 Torr; for 20h;	98%
With oxygen; acetic acid; hydrogen bromide; cobalt(II) acetate; manganese(II) acetate In water at 200℃; under 22502.3 Torr; for 0.05h; Product distribution / selectivity; Inert atmosphere;	98.3%

: 99-94-5
p-Toluic acid

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With ammonium acetate; water; hydrogen bromide; oxygen; manganese(II) acetate; cobalt(II) diacetate tetrahydrate; 1-n-butyl-3-methylimidazolim bromide; acetic acid; 3-butyl-1-methylimidazolium acetate at 215℃; under 30753.1 Torr; for 3h; Inert atmosphere;	99.1%
With ammonium acetate; water; hydrogen bromide; oxygen; manganese(II) acetate; cobalt(II) diacetate tetrahydrate; 1-n-butyl-3-methylimidazolim bromide; acetic acid; 3-butyl-1-methylimidazolium acetate at 215℃; under 30753.1 Torr; for 3h; Inert atmosphere;	99.1%
With oxovanadium(IV) sulfate; hydrogen bromide; oxygen; acetic acid In water at 100℃; under 750.075 Torr; for 20h;	97%

: 106-42-3
para-xylene

A: 100-21-0
terephthalic acid

B: 619-66-9
4-Carboxybenzaldehyde

Conditions

Conditions	Yield
With air; hydrogen bromide; acetic acid; cobalt(II) acetate; manganese(II) acetate at 180℃; under 25745 Torr; for 0.166667h;	A 98.3% B 1.4%
With 9,10-Dibromoanthracene; acetic acid; cobalt(II) acetate; cerium(III) acetate at 165℃; under 25745 Torr; for 0.166667h;	A 98.2% B 1.1%
With 9,10-Dibromoanthracene; acetic acid; cobalt(II) acetate; manganese(II) acetate at 170℃; under 25745 Torr; for 0.166667h;	A 97.5% B 1.9%

: 106-42-3
para-xylene

A: 100-21-0
terephthalic acid

B: 104-87-0
4-methyl-benzaldehyde

C: 619-66-9
4-Carboxybenzaldehyde

D: 99-94-5
p-Toluic acid

Conditions

Conditions	Yield
With hydrogen bromide; oxygen; acetic acid; cobalt(II) acetate; manganese(II) acetate In water at 190℃; under 16501.7 Torr; for 1h; Product distribution / selectivity;	A 98.1% B 0.2% C 0.4% D 0.4%
With oxygen; acetic acid; palladium diacetate; antimony(III) acetate In water at 182 - 195℃; under 16501.7 - 20929.4 Torr; for 1 - 1.5h; Product distribution / selectivity;	A 50.3% B 7.2% C 6.4% D 6.2%
With hydrogen bromide; oxygen; acetic acid; zirconium oxyacetate; cobalt(II) acetate In water at 190℃; under 16501.7 Torr; for 1h; Product distribution / selectivity;	A 4.9% B 3% C 1.9% D 36.9%

...Expand

: 623-27-8
terephthalaldehyde,

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With NADH oxidase and vanillin dehydrogenase 2 co-expressed in Escherichia coli cells In aq. phosphate buffer at 30℃; for 12h; pH=7; Microbiological reaction;	98%
With tris[2-(4,6-difluorophenyl)pyridinato-C2,N]-iridium(III); oxygen In acetonitrile at 20℃; for 24h; Irradiation; Sealed tube; Green chemistry; chemoselective reaction;	95%
With sodium perborate In acetic acid at 45 - 50℃;	93%

: 619-66-9
4-Carboxybenzaldehyde

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With water; ozone In acetonitrile for 5h; Irradiation;	98%
With NADH oxidase and vanillin dehydrogenase 2 co-expressed in Escherichia coli cells In aq. phosphate buffer at 30℃; for 3h; pH=7; Microbiological reaction;	98%
With C4H11FeMo6NO24(3-)*3C16H36N(1+); water; oxygen; sodium carbonate at 50℃; under 760.051 Torr; for 8h; Green chemistry;	97%

: 201230-82-2
carbon monoxide

: 74-11-3
para-chlorobenzoic acid

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With tetrabutylammomium bromide; dicobalt octacarbonyl In sodium hydroxide at 65℃; for 8h;	98%
With sodium hydroxide; dicobalt octacarbonyl In water at 65℃; under 1471.02 Torr; for 6h; Product distribution; Irradiation;	93.4 % Chromat.

: 104-87-0
4-methyl-benzaldehyde

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With oxygen; 1-hydroxy-pyrrolidine-2,5-dione; cobalt(II) acetate In acetic acid at 60℃; under 12049.9 Torr; for 1h; Product distribution / selectivity;	98%

: 201230-82-2
carbon monoxide

: 106-37-6
1.4-dibromobenzene

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With sodium hydroxide; cobalt(II) acetate In ethanol at 30℃; under 1520 Torr; for 4h; Irradiation;	97.1%
With sodium hydroxide; dicobalt octacarbonyl In ethanol; water at 65℃; under 1471.02 Torr; for 4h; Product distribution; Irradiation;	82.5 % Chromat.

: 589-29-7
p-xylylene glycol

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With diethylene glycol dimethyl ether at 70℃; for 0.583333h; Sonication;	97%
With C24H33IrN4O3; water; sodium hydroxide for 18h; Reflux;	96%
With sodium hypochlorite; water at 25℃; for 0.5h;	94%

: 5798-75-4
Ethyl 4-bromobenzoate

: 201230-82-2
carbon monoxide

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With tetrabutylammomium bromide; dicobalt octacarbonyl In sodium hydroxide; benzene at 65℃; for 1.5h; Irradiation;	97%

: 32555-96-7
4-styrylbenzaldehyde

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
Stage #1: 4-styrylbenzaldehyde With tert.-butylhydroperoxide; iron(III) chloride hexahydrate; sodium hydroxide In water at 80℃; for 10h; Stage #2: With hydrogenchloride In water at 20℃;	97%

: 3006-96-0
3-hydroxymethyl-benzoic acid

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With C24H33IrN4O3; water; sodium hydroxide for 18h; Reflux;	97%
Multi-step reaction with 2 steps 1: recombinant 5-hydroxymethylfurfural oxidase / aq. phosphate buffer / 4 h / 25 °C / pH 8 / Enzymatic reaction 2: recombinant 5-hydroxymethylfurfural oxidase / aq. phosphate buffer / 1 h / 25 °C / pH 8 / Enzymatic reaction View Scheme
Multi-step reaction with 2 steps 1: recombinant 5-hydroxymethylfurfural oxidase / aq. phosphate buffer / 4 h / 25 °C / pH 8 / Enzymatic reaction 2: recombinant 5-hydroxymethylfurfural oxidase / aq. phosphate buffer / 1 h / 25 °C / pH 8 / Enzymatic reaction View Scheme

: 636-09-9
diethyl terephthalate

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With PPA at 154℃; for 4.2h;	96%
With potassium carbonate

: 106-42-3
para-xylene

A: 100-21-0
terephthalic acid

B: 99-94-5
p-Toluic acid

Conditions

Conditions	Yield
With N-hydroxyphthalimide; oxygen; nitric acid at 110℃; under 760.051 Torr; for 6h; Ionic liquid;	A 96% B 3%
Stage #1: para-xylene With N-hydroxyphthalimide; cobalt(II) phthalocyanine; μ-oxo[manganese(III) tetraphenylporphine]2; oxygen at 120℃; under 3750.38 Torr; Stage #2: With N-hydroxyphthalimide; cobalt(II) phthalocyanine; μ-oxo[manganese(III) tetraphenylporphine]2; oxygen; acetic acid at 232℃; under 16501.7 Torr; for 1.5h; Temperature; Pressure; Reagent/catalyst;	A 90% B 9.7%
With chromium(VI) oxide; periodic acid In acetonitrile at 20℃; for 1h;	A 6% B 86%

polyethylene terephthalate: polyethylene terephthalate

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
Stage #1: polyethylene terephthalate With sodium hydroxide In octanol at 183℃; for 0.25h; Heating / reflux; Stage #2: With hydrogenchloride In water Product distribution / selectivity;	96%
Stage #1: polyethylene terephthalate With sodium hydroxide In butan-1-ol at 108℃; for 0.25h; Stage #2: With sulfuric acid pH=2; Product distribution / selectivity;	96%
Stage #1: polyethylene terephthalate With sodium hydroxide In pentan-1-ol at 124℃; for 0.166667h; Stage #2: With sulfuric acid pH=2; Product distribution / selectivity;	96%

polyethylene terephthalate: polyethylene terephthalate

A: 100-21-0
terephthalic acid

B: 107-21-1
ethylene glycol

Conditions

Conditions	Yield
Stage #1: polyethylene terephthalate With sodium hydroxide In propan-1-ol at 89℃; for 0.25h; Stage #2: With hydrogenchloride In propan-1-ol; water Product distribution / selectivity;	A 96% B n/a

5-(1-methyl-3,4,5,6,7,7-hexachloro-norborn-4-ene-1)-isophthalic acid dichloride: 5-(1-methyl-3,4,5,6,7,7-hexachloro-norborn-4-ene-1)-isophthalic acid dichloride

: 100-20-9
terephthaloyl chloride

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
In 1,2-dimethoxyethane; ethylene glycol	96%

: 589-18-4
4-Methylbenzyl alcohol

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With carbon dioxide; oxygen; 1-hydroxy-pyrrolidine-2,5-dione; cobalt(II) acetate In acetic acid at 22℃; under 44734.5 Torr; for 24h; Product distribution / selectivity;	96%

: 64-19-7
acetic acid

: 99-94-5
p-Toluic acid

A: 100-21-0
terephthalic acid

B: 3006-96-0
3-hydroxymethyl-benzoic acid

C: 15561-46-3
p-acetoxymethyl benzoic acid

D: 619-66-9
4-Carboxybenzaldehyde

Conditions

Conditions	Yield
With N-hydroxyphthalimide; air; cobalt(II) acetate; manganese(II) acetate at 150℃; under 22800 Torr; for 3h;	A 95% B n/a C n/a D n/a

...Expand

: 124-38-9
carbon dioxide

: 106-37-6
1.4-dibromobenzene

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With C26H30B10Cl2P2Pd In toluene at 60℃; under 760.051 Torr; for 8h;	95%
Stage #1: carbon dioxide With o-phenylenebis(diphenylphosphine); copper(II) acetate monohydrate In 1,4-dioxane at 65℃; for 0.333333h; Schlenk technique; Stage #2: 1.4-dibromobenzene With palladium diacetate; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane; toluene at 100℃; for 8h; Schlenk technique; Sealed tube;	93%
Stage #1: carbon dioxide With o-phenylenebis(diphenylphosphine); copper(II) acetate monohydrate In 1,4-dioxane at 65℃; for 0.416667h; Schlenk technique; Stage #2: 1.4-dibromobenzene With palladium diacetate; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane; toluene at 100℃; for 20h; Schlenk technique;	93%

: 119923-98-7
1,4-C6H4(COFp)2

A: 12078-28-3, 38979-86-1
dicarbonylcyclopentadienyliodoiron(II)

B: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With iodine In tetrahydrofuran (N2), reaction for 20 min; IR, NMR;	A 77% B 94%

: 119923-98-7
1,4-C6H4(COFp)2

A: dicarbonylcyclopentadienylbromoiron(II)

B: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With bromine In tetrahydrofuran (N2), reaction for 20 min; IR, NMR;	A 85% B 94%

: 201230-82-2
carbon monoxide

: 624-38-4
para-diiodobenzene

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With potassium hydroxide; amphiphilic resin-supported phosphine-palladium; water at 25℃; under 760 Torr; for 12h; hydroxycarbonylation;	93%

: 5129-22-6
(3-amino-4-ethylphenyl)methanol

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
Stage #1: (3-amino-4-ethylphenyl)methanol With 2,5-dimethyl-2,5-hexanediol at 67℃; for 2.83333h; Stage #2: With bis(cyclopentadienyl)diphenyltitanium(IV) at 86℃; for 1.5h; Temperature;	93%

: 106-42-3
para-xylene

A: 100-21-0
terephthalic acid

B: 42946-19-0
anthraquinone-2,6-dicarboxylic acid

Conditions

Conditions	Yield
With oxygen; manganese(II) acetate; cobalt(II) bromide In water; acetic acid at 175 - 220℃; under 11400.8 Torr; for 1h; Product distribution / selectivity;	A 92.4% B n/a

: 558480-54-9
1,3,5-triazin-2,4,6[1H,3H,5H]-trion-1N,3N,5N-tri-O-yl acetate

cobalt (II) acetate·4 H2O: cobalt (II) acetate·4 H2O

manganese (II) acetate·4 H2O: manganese (II) acetate·4 H2O

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With nitrogen; acetic acid In titanium; para-xylene	92%

...Expand

: 122-00-9
para-methylacetophenone

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With oxygen; manganese (II) acetate tetrahydrate; cobalt(II) diacetate tetrahydrate; 1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione In acetic acid at 120℃; under 760.051 Torr; for 15h;	91%
With nitric acid nachfolgend Oxydation mit Permanganat in verduennter Natronlauge;
With sodium hydroxide; chlorine; 1,2,3-trichlorobenzene at 150 - 200℃; anschliessendes Erhitzen mit wss. Natriumhypochlorit-Loesung;

: 1075-49-6
4-ethenylbenzoic acid

: 100-21-0
terephthalic acid

Conditions

Conditions	Yield
With Oxone; 2-iodo-3,4,5,6-tetramethylbenzoic acid In water; acetonitrile for 22h;	91%
With Oxone In water; acetonitrile for 19h; Reflux;	77%

: 67-56-1
methanol

: 100-21-0
terephthalic acid

: 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester

Conditions

Conditions	Yield
Stage #1: methanol; terephthalic acid for 0.5h; Reflux; Inert atmosphere; Stage #2: With thionyl chloride for 10h; Reflux; Inert atmosphere;	100%
With thionyl chloride Heating;	99%
Stage #1: methanol; terephthalic acid for 0.5h; Reflux; Stage #2: With thionyl chloride for 12h; Reflux;	99%

: 100-21-0
terephthalic acid

: 100-20-9
terephthaloyl chloride

Conditions

Conditions	Yield
With thionyl chloride for 2h; Reflux;	100%
With aluminum (III) chloride; Methyltrichlorosilane In tetrachloromethane at 70℃; for 13h; Temperature; Reagent/catalyst;	99.13%
With thionyl chloride for 5h; Reflux;	98%

: 5122-82-7
1-adamantyl bromomethyl ketone

: 100-21-0
terephthalic acid

: 123426-29-9
Terephthalic acid bis-(2-adamantan-1-yl-2-oxo-ethyl) ester

Conditions

Conditions	Yield
With triethylamine In acetone for 6h; Heating;	100%

: 100-21-0
terephthalic acid

: 143-15-7
1-dodecylbromide

: 18749-84-3
bis-dodecyl benzene-1,4-dicarboxylate

Conditions

Conditions	Yield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In benzene for 18h; Esterification; Heating;	100%

: 75-44-5
phosgene

: 100-21-0
terephthalic acid

: 120-61-6
1,4-benzenedicarboxylic acid dimethyl ester

Conditions

Conditions	Yield
With pyridine In dichloromethane	100%

: [(η(5)-C5H5)2Co][OH]

: 100-21-0
terephthalic acid

: 2((C5H5)2Co)(1+)*(C6H4(COO)2)(2-)*6H2O = [(C5H5)2Co]2[(C6H4(COO)2)]*6H2O

Conditions

Conditions	Yield
In water mixing; filtn., solvent evpn.;	100%

: bis(benzene)chromium hydroxide

: 100-21-0
terephthalic acid

: 2((C6H6)2Cr)(1+)*(C6H4(COO)2)(2-)*6H2O = [(C6H6)2Cr]2[(C6H4(COO)2)]*6H2O

Conditions

Conditions	Yield
In water mixing; filtn., solvent evpn.;	100%

: 100-21-0
terephthalic acid

: 17403-09-7
3-(4-piperidinyl)-1H-indole

: 1,4-phenylenebis((4-(1H-indol-3-yl)piperidin-1-yl)methanone)

Conditions

Conditions	Yield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;	100%

: 100-21-0
terephthalic acid

: 46190-30-1
barium terephthalate

Conditions

Conditions	Yield
With barium(II) chloride dihydrate; potassium hydroxide In water	100%
Stage #1: terephthalic acid With barium(II) nitrate In methanol for 1h; Stage #2: With pyridine for 3h; Reagent/catalyst; Solvent;

: 100-21-0
terephthalic acid

: 111-40-0
1,5-diamino-3-azapentane

: C16H24N6

Conditions

Conditions	Yield
at 170 - 270℃;	100%

: 100-21-0
terephthalic acid

: (3S,4S)-N3,N4-dihexylpyrrolidine-3,4-dicarboxamide hydrochloride

: (3S,3’S,4S,4’S)-1,1’-terephthaloylbis(N3,N4-dihexylpyrrolidine-3,4-dicarboxamide)

Conditions

Conditions	Yield
With 2,6-dimethylpyridine; 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 0 - 25℃; for 4.5h;	100%
Stage #1: terephthalic acid; (3S,4S)-N3,N4-dihexylpyrrolidine-3,4-dicarboxamide hydrochloride With 2,6-dimethylpyridine; 1-hydroxy-7-aza-benzotriazole In dichloromethane; N,N-dimethyl-formamide at 0℃; for 0.0833333h; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane; N,N-dimethyl-formamide at 0 - 20℃; for 4.5h;	84%

: 100-21-0
terephthalic acid

: 3CO3(2-)*2Eu(3+)*4H2O

: 3CO3(2-)*2Gd(3+)*4H2O

: (Eu0.5Gd0.5)2(benzene-1,4-dicarboxylate)3(H2O)4

Conditions

Conditions	Yield
In neat (no solvent, solid phase) for 2h; Milling; Inert atmosphere;	100%

...Expand

: 2Sm(3+)*3CO3(2-)*4H2O=Sm2(CO3)3*4H2O

: 100-21-0
terephthalic acid

: 3CO3(2-)*2Gd(3+)*4H2O

: (Sm0.5Gd0.5)2(benzene-1,4-dicarboxylate)3(H2O)4

Conditions

Conditions	Yield
In neat (no solvent, solid phase) for 2h; Milling; Inert atmosphere;	100%

...Expand

: 2Tb(3+)*3CO3(2-)*6H2O=Tb2(CO3)3*6H2O

: 100-21-0
terephthalic acid

: 3CO3(2-)*2Gd(3+)*4H2O

: (Tb0.5Gd0.5)2(benzene-1,4-dicarboxylate)3(H2O)4

Conditions

Conditions	Yield
In neat (no solvent, solid phase) for 2h; Milling; Inert atmosphere;	100%

...Expand

: 366-18-7
[2,2]bipyridinyl

: zinc(II) nitrate hexahydrate

: 100-21-0
terephthalic acid

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

: {[Zn(1,4-benzenedicarboxylato)(2,2'-bipyridine)]·N,N-dimethylformamide}n

Conditions

Conditions	Yield
at 80℃; for 96 - 168h;	100%

...Expand

: 100-21-0
terephthalic acid

: 619-81-8, 619-82-9, 1076-97-7
cyclohexane-1,4-dicarboxylic acid

Conditions

Conditions	Yield
With ammonium hydroxide; 1% Pd/C; hydrogen at 90℃; Reagent/catalyst; Temperature;	99.9%
With hydrogen In water at 200℃; under 30003 Torr; for 3h; Reagent/catalyst;	98.7%
With hydrogen In water at 140℃; under 51716.2 Torr; for 6h; Solvent; Temperature; Autoclave;	69.8%

: 71-23-8
propan-1-ol

: 100-21-0
terephthalic acid

: 1962-75-0
di-n-butyl terephthalate

Conditions

Conditions	Yield
Stage #1: propan-1-ol; terephthalic acid With titanium(IV) isopropylate at 180℃; under 4560.31 Torr; for 3h; Inert atmosphere; Stage #2: propan-1-ol With toluene-4-sulfonic acid at 200℃; under 4560.31 Torr; for 6h; Reagent/catalyst; Inert atmosphere;	99.6%

: 104-76-7
2-Ethylhexyl alcohol

: 100-21-0
terephthalic acid

: 6422-86-2
di(2-ethylhexyl)terephthalate

Conditions

Conditions	Yield
With phenol and titanium tetraisopropoxide resin at 200℃; for 4h; Reagent/catalyst; Dean-Stark; Inert atmosphere;	99.5%
With titanium(IV) isopropylate at 170 - 200℃; Inert atmosphere; Large scale;	99%
With titanium(IV) isopropylate at 170 - 220℃; under 760.051 Torr; for 4.5h; Inert atmosphere; Large scale;	99%

: 71-23-8
propan-1-ol

: 100-21-0
terephthalic acid

: 1962-74-9
terephthalic acid dipropyl ester

Conditions

Conditions	Yield
With thionyl chloride Heating;	99%
With sulfuric acid
With sulfuric acid Reflux;

: 100-21-0
terephthalic acid

: N-[1-(4-Amino-phenyl)-1-phenyl-meth-(E)-ylidene]-benzene-1,4-diamine

Polymer; Monomer(s): OPA, terephthalic acid;: Polymer; Monomer(s): OPA, terephthalic acid;

Conditions

Conditions	Yield
With pyridine; 1-methyl-pyrrolidin-2-one; lithium chloride; triphenyl phosphite at 80℃;	99%

: 100-21-0
terephthalic acid

: 134248-82-1
4,4'‑diamino‑4''‑methoxytriphenylamine

polymer, inherent viscosity 0.79 dl/g, softening temp. 248 deg C; monomer(s): 4,4'-diamino-4''-methoxytriphenylamine; terephthalic acid: polymer, inherent viscosity 0.79 dl/g, softening temp. 248 deg C; monomer(s): 4,4'-diamino-4''-methoxytriphenylamine; terephthalic acid

Conditions

Conditions	Yield
With pyridine; triphenyl phosphite; calcium chloride In 1-methyl-pyrrolidin-2-one at 105℃; for 3h;	99%

: vanadocene

: 100-21-0
terephthalic acid

: V(3+)*C5H5(1-)*2OOCC6H4COOH(1-)=(C5H5)V(OCOC6H4COOH)2

Conditions

Conditions	Yield
In toluene byproducts: cyclopentadiene; Ar atmosphere; 20 h at 120°C; ppt. was filtered off, washed with toluene and ether, and dried; elem. anal.;	99%

: 280-57-9
1,4-diaza-bicyclo[2.2.2]octane

: ammonium sulfate

: 100-21-0
terephthalic acid

: zinc(II) oxide

: [(zinc)2(terephthalate)2(1,4-diazabicyclo[2.2.2]octane)]*(x)(NH4)2SO4 [Zn2(C6H4(COO)2)2(N2(C2H4)3)]*99(NH4)2SO4, hexagonal

Conditions

Conditions	Yield
With DMF In solid mixt. of ZnO, C6H4(COOH)2, N2(C2H4)3 (in stoich. ratio 1:1:0.5), (NH4)2SO4 (12% weight fraction of solid reagents) and DMF ground at room temp. for 30 min; detd. by XRD;	99%

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: 280-57-9
1,4-diaza-bicyclo[2.2.2]octane

: 100-21-0
terephthalic acid

: 7757-82-6
sodium sulfate

: zinc(II) oxide

: [(zinc)2(terephthalate)2(1,4-diazabicyclo[2.2.2]octane)]*(x)Na2SO4 [Zn2(C6H4(COO)2)2(N2(C2H4)3)]*99Na2SO4, hexagonal

Conditions

Conditions	Yield
With DMF In solid mixt. of ZnO, C6H4(COOH)2, N2(C2H4)3 (in stoich. ratio 1:1:0.5), Na2SO4 (12% weight fraction of solid reagents) and DMF ground at room temp. for30 min; detd. by XRD;	99%

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: 280-57-9
1,4-diaza-bicyclo[2.2.2]octane

: potassium sulfate

: 100-21-0
terephthalic acid

: zinc(II) oxide

: [(zinc)2(terephthalate)2(1,4-diazabicyclo[2.2.2]octane)]*(x)K2SO4 [Zn2(C6H4(COO)2)2(N2(C2H4)3)]*99K2SO4, hexagonal

Conditions

Conditions	Yield
With DMF In solid mixt. of ZnO, C6H4(COOH)2, N2(C2H4)3 (in stoich. ratio 1:1:0.5), K2SO4 (12% weight fraction of solid reagents) and DMF ground at room temp. for 30 min; detd. by XRD;	99%

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: 100-21-0
terephthalic acid

: 75-26-3
isopropyl bromide

: 6422-84-0
terephthalic acid diisopropyl ester

Conditions

Conditions	Yield
With triethylamine at 60℃; for 2h; Inert atmosphere; Ionic liquid;	99%

: 100-21-0
terephthalic acid

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

: zinc(II) oxide

: 213275-65-1
[Zn(1,4-benzenedicarboxylate)(H2O)]*DMF

Conditions

Conditions	Yield
With H2O In neat (no solvent) grinding C6H4(COOH)2 with ZnO and DMF (with H2O content of 10 % v/v) for30 min; detd. by XRD;	99%
In neat (no solvent) grinding C6H4(COOH)2 with ZnO and DMF for 20 min; H. Li et al., J. Am. Chem. Soc. 1998, 120, 8571; detd. by XRD;

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Terephthalic acid Consensus Reports

Community Right-To-Know List. Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Terephthalic acid Standards and Recommendations

ACGIH TLV: TWA 10 mg/m³

Terephthalic acid Specification

The Terephthalic acid is an organic compound with the formula C₈H₆O₄. The IUPAC name of this chemical is terephthalic acid. With the CAS registry number 100-21-0, it is also named as 1,4-Benzenedicarboxylic acid. The product's classification codes are Antioxidants; Drug / Therapeutic Agent; Free radical scavengers; Mutation data; Skin / Eye Irritant; TSCA Flag T [Subject to the Section 4 test rule under TSCA]. Besides, it is a white powder, which should be stored in a cool and ventilated place. It is used in the manufacture of synthetic resin, synthetic fibers, plasticizers and chromatography reagents.

Physical properties about Terephthalic acid are: (1)ACD/LogP: 2.00; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 74.6 Å²; (10)Index of Refraction: 1.618; (11)Molar Refractivity: 40.113 cm³; (12)Molar Volume: 114.493 cm³; (13)Polarizability: 15.902×10^-24cm³; (14)Surface Tension: 70.304 dyne/cm; (15)Density: 1.451 g/cm³; (16)Flash Point: 205.267 °C; (17)Enthalpy of Vaporization: 67.722 kJ/mol; (18)Boiling Point: 392.373 °C at 760 mmHg.

Preparation: this chemical can be prepared by 1,4-dimethyl-benzene. This reaction will need reagent NHPI, Co(acac)₂, O₂ and solvent acetic acid. The reaction time is 12 hours with reaction temperature of 100 °C. The yield is about 23 %.

Uses of Terephthalic acid: it can be used to produce N,N'-p-phenylene-bis-carbamic acid diethyl ester by heating. It will need reagent polymer-supported diphenylphosphoryl azide, Et₃N and solvent benzene with reaction time of 24 hours. The yield is about 36%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. 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: c1cc(ccc1C(=O)O)C(=O)O
(2)InChI: InChI=1/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
(3)InChIKey: KKEYFWRCBNTPAC-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
(5)Std. InChIKey: KKEYFWRCBNTPAC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
dog	LDLo	intravenous	767mg/kg (767mg/kg)	Toxicology and Applied Pharmacology. Vol. 18, Pg. 469, 1971.
mouse	LD50	intraperitoneal	1430mg/kg (1430mg/kg)	Chemical and Pharmaceutical Bulletin. Vol. 16, Pg. 1655, 1968.
mouse	LD50	oral	3200mg/kg (3200mg/kg)	Kodak Company Reports. Vol. 21MAY1971,
rat	LD50	oral	> 6400mg/kg (6400mg/kg)	Kodak Company Reports. Vol. 21MAY1971,

Product Name

Terephthalic acid

Synthetic route

Terephthalic acid Consensus Reports

Terephthalic acid Standards and Recommendations

Terephthalic acid Specification

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