Isophthalic acid supplier | CasNO.121-91-5

Name
Isophthalic acid
EINECS 204-506-4
CAS No. 121-91-5
Article Data269
CAS DataBase
Density 1.451 g/cm³
Solubility water: 0.01 g/100 mL (25 °C)
Melting Point 341-343 °C(lit.)
Formula C₈H₆O₄
Boiling Point 378.274 °C at 760 mmHg
Molecular Weight 166.133
Flash Point 196.749 °C
Transport Information
Appearance white to light yellow crytal power
Safety 24/25-36-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Isophthalicacid (8CI);3-Carboxybenzoic acid;NSC 15310;m-Benzenedicarboxylic acid;m-Carboxybenzoic acid;m-Dicarboxybenzene;m-Phthalic acid;1,3-Benzenedicarboxylicacid;
PSA 74.60000
LogP 1.08300

Synthetic route

: 626-18-6
1,3-dimethanol benzene

: 121-91-5
isophthalic acid

Conditions

Conditions	Yield
Stage #1: 1,3-dimethanol benzene With (6-di-tert-butylphosphinomethyl-2,2’-bipyridyl)Ru(CO)HCl; water; sodium hydroxide for 18h; Inert atmosphere; Reflux; Stage #2: Acidic conditions;	100%
With C24H33IrN4O3; water; sodium hydroxide for 18h; Reflux;	97%
With sodium tetrahydroborate; 1% Pd/C; water; potassium hydroxide In methanol at 20℃; for 9h; In air;	89%
Multi-step reaction with 2 steps 1: concentrated hydrobromic acid 2: aqueous potassium permanganate View Scheme

: 16034-14-3
isophthalic Acid dibenzyl ester

: 108-88-3
toluene

A: 121-91-5
isophthalic acid

B: 620-47-3
1-methyl-3-(phenylmethyl)-benzene

C: 620-83-7
1-methyl-4-(phenylmethyl)benzene

D: 713-36-0
2-benzyltoluene

Conditions

Conditions	Yield
With boron trifluoride diethyl etherate; water at 80℃; for 2h; regioselective reaction;	A 99% B n/a C n/a D n/a

...Expand

: 201230-82-2
carbon monoxide

: 585-76-2
m-bromobenzoic acid

A: 121-91-5
isophthalic acid

B: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With sodium hydroxide; cobalt(II) oxide at 65℃; under 1520 Torr; for 1h; Irradiation;	A 98% B 1.5%
With sodium hydroxide; cobalt(II) oxide at 65℃; under 1520 Torr; for 1h; Product distribution; Irradiation; other cobalt salt catalysts and various aromatic halides investigated;	A 98% B 1.5%
With sodium methylate; cobalt(II) acetate In methanol at 65℃; under 1520 Torr; for 1h; Irradiation;	A 72.6% B 21.3%

...Expand

: 108-38-3
m-xylene

: 121-91-5
isophthalic acid

Conditions

Conditions	Yield
With phosphoric acid; ozone In water; acetonitrile at 25℃; for 29h; pH=4 - 4.5; Temperature; UV-irradiation;	96%
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;	80%
With oxygen In chloroform for 12h; Irradiation;	75%

: 108-38-3
m-xylene

A: 121-91-5
isophthalic acid

B: 619-21-6
m-formylphenyl benzoic acid

C: 99-04-7
m-Toluic acid

Conditions

Conditions	Yield
With dihydrogen peroxide In dimethyl sulfoxide at 70℃; for 10h; Catalytic behavior; Reagent/catalyst; Overall yield = > 99 %;	A 96% B n/a C n/a
With cobalt(II) acetate; manganese(II) acetate; acetic acid; 3-benzyl-1-methylimidazolium bromide at 215℃; for 3h;

...Expand

: 1877-72-1
3-Cyanobenzoic acid

: 121-91-5
isophthalic acid

Conditions

Conditions	Yield
With water; sodium hydroxide at 115℃; for 5h;	96%

: 620-23-5
m-tolyl aldehyde

A: 121-91-5
isophthalic acid

B: 99-04-7
m-Toluic acid

Conditions

Conditions	Yield
With potassium ferrate(VI) In neat (no solvent) for 5h; Milling;	A n/a B 92.8%

: 201230-82-2
carbon monoxide

: 626-00-6
1,3-Diiodobenzene

A: 121-91-5
isophthalic acid

B: 618-51-9
3-Iodobenzoic acid

Conditions

Conditions	Yield
With potassium hydroxide; amphiphilic resin-supported phosphine-palladium; water at 25℃; under 760 Torr; for 12h; hydroxycarbonylation;	A 92% B n/a

...Expand

: 626-19-7
Isophthalaldehyde

: 121-91-5
isophthalic acid

Conditions

Conditions	Yield
With sodium perborate In acetic acid at 45 - 50℃;	90%
With potassium hydroxide; sodium tetrahydroborate; air; palladium on activated charcoal In methanol at 20℃; for 6h;	88%
With potassium permanganate

: 585-74-0
3-Methylacetophenone

: 121-91-5
isophthalic 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;	89%

: 95-63-6
1,2,4-Trimethylbenzene

A: 121-91-5
isophthalic acid

B: 100-21-0
terephthalic acid

C: 528-44-9
1,2,4-benzene tricarboxylic acid

Conditions

Conditions	Yield
With oxygen; titanium(IV) isopropylate; tetrabutoxytitanium; manganese(II) acetate; cobalt(II) acetate; ammonium bromide; cerous nitrate In water; acetic acid at 150 - 225℃; under 5250.53 - 18751.9 Torr; for 1.2 - 1.25h; Product distribution / selectivity;	A n/a B n/a C 88.3%

...Expand

: 108-36-1
1,3-dibromobenzene

: 18414-58-9
diphenylmethylsilanecarboxylic acid

A: 121-91-5
isophthalic acid

B: 585-76-2
m-bromobenzoic acid

Conditions

Conditions	Yield
With lithium trimethylsilanolate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; bis(dibenzylideneacetone)-palladium(0) In 1,4-dioxane at 80℃; for 16h; Glovebox; Overall yield = 40 mg;	A 88% B 7%

...Expand

: 626-18-6
1,3-dimethanol benzene

A: 121-91-5
isophthalic acid

B: 28286-79-5
3-(Hydroxymethyl)benzoic acid

Conditions

Conditions	Yield
Stage #1: 1,3-dimethanol benzene With cesiumhydroxide monohydrate; C24H19F3N7O3RuS(1+)*CF3O3S(1-) In water at 150℃; for 24h; Inert atmosphere; Schlenk technique; Stage #2: With hydrogenchloride In water Inert atmosphere; Schlenk technique;	A 88% B 10%
Stage #1: 1,3-dimethanol benzene With cesiumhydroxide monohydrate; C24H19F3N7O3RuS(1+)*CF3O3S(1-) In water at 150℃; for 24h; Inert atmosphere; Schlenk technique; Stage #2: With hydrogenchloride In water Inert atmosphere; Schlenk technique;	A 23% B 52%

: 108-38-3
m-xylene

A: 121-91-5
isophthalic acid

B: 99-04-7
m-Toluic acid

Conditions

Conditions	Yield
With N-hydroxyphthalimide; air; cobalt(II) acetate; manganese(II) acetate In acetic acid at 150℃; under 22801.5 Torr; for 3h;	A 87% B 7%
Stage #1: m-xylene With hafnium(IV) oxide; N-hydroxy-o-sulphonyl benzamide; C32H12F4FeN8; C44H28N4O8Ru; oxygen at 145℃; under 6000.6 Torr; for 1.6h; Stage #2: With hafnium(IV) oxide; N-hydroxy-o-sulphonyl benzamide; C32H12F4FeN8; C44H28N4O8Ru; oxygen; acetic acid at 176℃; under 13501.4 Torr; for 2.2h; Temperature; Pressure; Reagent/catalyst;	A 84.4% B 15.6%
With N-hydroxyphthalimide; oxygen; nitric acid at 110℃; under 760.051 Torr; for 6h; Ionic liquid;	A 71% B n/a

: 19806-17-8
1,3-benzenediacetic acid

: 121-91-5
isophthalic acid

Conditions

Conditions	Yield
With iodine; dimethyl sulfoxide at 120℃; for 26h; Sealed tube; Green chemistry;	87%

: 95-47-6
o-xylene

: 106-42-3
para-xylene

: 108-38-3
m-xylene

A: 121-91-5
isophthalic acid

B: 100-21-0
terephthalic acid

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

D: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With dihydrogen peroxide; oxygen; manganese(II) bromide In water at 400℃; under 187519 Torr; Product distribution / selectivity;	A 86.3% B 66.7% C 61.5% D n/a

...Expand

: 67-56-1
methanol

: 201230-82-2
carbon monoxide

: 108-36-1
1,3-dibromobenzene

A: 121-91-5
isophthalic acid

B: 1459-93-4
dimethyl Isophthalate

C: 618-89-3
methyl 3-bromobenzoate

Conditions

Conditions	Yield
With tert-Amyl alcohol; sodium hydride; cobalt(II) acetate In tetrahydrofuran at 40℃; under 760 Torr; for 14h; Irradiation;	A 5% B 86% C 8%

...Expand

: 201230-82-2
carbon monoxide

: 108-36-1
1,3-dibromobenzene

A: 121-91-5
isophthalic acid

B: 1459-93-4
dimethyl Isophthalate

C: 618-89-3
methyl 3-bromobenzoate

Conditions

Conditions	Yield
With methanol; tert-Amyl alcohol; sodium hydride; cobalt(II) acetate In tetrahydrofuran at 40℃; under 760 Torr; for 14h; Irradiation;	A 5% B 86% C 8%

...Expand

: ammonium isophthalate

: 121-91-5
isophthalic acid

Conditions

Conditions	Yield
With ammonium hydroxide at 150℃;	85.4%

: 201230-82-2
carbon monoxide

: 535-80-8
3-chlorobenzoate

: 121-91-5
isophthalic acid

Conditions

Conditions	Yield
With sodium hydroxide; cobalt(II) acetate at 80℃; under 1520 Torr; for 2.5h; Irradiation;	81.6%
With sodium hydroxide; dicobalt octacarbonyl In water at 65℃; under 1471.02 Torr; for 6h; Product distribution; Irradiation;	94.0 % Chromat.

: 180044-88-6
C26H16N2O4

: 121-91-5
isophthalic acid

Conditions

Conditions	Yield
With sodium hydroxide for 2h;	80%

: 108-38-3
m-xylene

A: 74-83-9
methyl bromide

B: 121-91-5
isophthalic acid

C: 99-04-7
m-Toluic acid

Conditions

Conditions	Yield
With anthracene; oxygen; acetic acid; hydrogen bromide; cobalt(II) acetate; manganese(II) acetate In water at 180 - 195℃; under 21446.5 Torr; for 1h; Product distribution / selectivity;	A n/a B 80% C 0.8%
With oxygen; acetic acid; hydrogen bromide; cobalt(II) acetate; manganese(II) acetate In water at 180 - 195℃; under 21446.5 Torr; for 1h; Product distribution / selectivity;	A n/a B 73% C 1%

...Expand

: 108-67-8
1,3,5-trimethyl-benzene

A: 121-91-5
isophthalic acid

B: 554-95-0
benzene-1,3,5-tricarboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide; water; dihydrogen peroxide; manganese(II) bromide at 380℃; under 172517 Torr;	A n/a B 78%

: 108-70-3
1,3,5-trichlorobenzene

: 201230-82-2
carbon monoxide

A: 121-91-5
isophthalic acid

B: 554-95-0
benzene-1,3,5-tricarboxylic acid

Conditions

Conditions	Yield
With sodium hydroxide; cobalt(II) acetate In ethanol at 65℃; under 1520 Torr; for 18h; Irradiation;	A 21.3% B 76.4%

...Expand

: 201230-82-2
carbon monoxide

: 150177-91-6
3-bromo-1-iodylbenzene

A: 591-18-4
1-Bromo-3-iodobenzene

B: 121-91-5
isophthalic acid

C: 585-76-2
m-bromobenzoic acid

Conditions

Conditions	Yield
With sodium tetrachloropalladate; sodium carbonate In water at 40℃; for 5.5h; Yields of byproduct given;	A n/a B 14% C 76%

...Expand

: 201230-82-2
carbon monoxide

: 150177-91-6
3-bromo-1-iodylbenzene

A: 625-99-0
3-iodochlorobenzene

B: 121-91-5
isophthalic acid

C: 585-76-2
m-bromobenzoic acid

Conditions

Conditions	Yield
With sodium tetrachloropalladate; sodium carbonate In water at 40℃; for 5.5h; Yields of byproduct given;	A n/a B 14% C 76%

...Expand

: 109-77-3
malononitrile

: 618-51-9
3-Iodobenzoic acid

: 121-91-5
isophthalic acid

Conditions

Conditions	Yield
Stage #1: malononitrile; 3-Iodobenzoic acid With copper(l) iodide; caesium carbonate; L-proline In dimethyl sulfoxide at 130℃; for 24h; Ullmann type reaction; Inert atmosphere; Stage #2: In dimethyl sulfoxide at 140℃; for 12h; Stage #3: With hydrogenchloride In water pH=2 - 3;	70%

: 108-38-3
m-xylene

A: 121-91-5
isophthalic acid

B: 65-85-0
benzoic acid

Conditions

Conditions	Yield
With sodium hydroxide; water; dihydrogen peroxide; manganese(II) bromide at 380℃; under 172517 Torr;	A 66% B n/a
With dihydrogen peroxide; oxygen; manganese(II) bromide In water at 400℃; under 187519 Torr; Product distribution / selectivity;	A 58% B n/a

: 591-18-4
1-Bromo-3-iodobenzene

: 124-38-9
carbon dioxide

: 121-91-5
isophthalic acid

Conditions

Conditions	Yield
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-Bromo-3-iodobenzene With palladium diacetate; triethylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In 1,4-dioxane; toluene at 100℃; Schlenk technique;	65%

: 67-56-1
methanol

: 121-91-5
isophthalic acid

: 1459-93-4
dimethyl Isophthalate

Conditions

Conditions	Yield
With boron trifluoride at 65℃; for 0.333333h;	100%
With thionyl chloride at 20℃; for 72h;	95.7%
With 4-methyl-morpholine; 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride for 3h;	92%

: 121-91-5
isophthalic acid

: 99-63-8
benzene-1,3-dicarbonyl dichloride

Conditions

Conditions	Yield
With thionyl chloride at 80℃; for 4h;	100%
With thionyl chloride In N,N-dimethyl acetamide; acetonitrile at 120℃; for 1h; Solvent; Large scale;	99.4%
With thionyl chloride In N,N-dimethyl-formamide	98%

: 121-91-5
isophthalic acid

: N,N-Bis-(2-methoxy-ethyl)-2-({[2-(4-methoxy-phenyl)-ethylcarbamoyl]-methyl}-amino)-acetamide; hydrochloride

: N,N'-bis(N-(2-(4-methoxyphenyl)ethyl)carboxamidomethyl)-N,N'-bis(N,N-di(2-methoxyethyl)carboxamidomethyl)benzene-1,3-dicarboxamide

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate In N,N-dimethyl-formamide at 25℃; for 16h; Condensation;	100%

: 121-91-5
isophthalic acid

: 101-80-4
4,4'-oxydiphenylene diamine

polymer, Mn 82.2 kg/mol by GPC, Mw/Mn 1.69; monomer(s): isophthalic acid; 4,4\-oxydianiline: polymer, Mn 82.2 kg/mol by GPC, Mw/Mn 1.69; monomer(s): isophthalic acid; 4,4\-oxydianiline

Conditions

Conditions	Yield
With pyridine; triphenyl phosphite; lithium chloride In 1-methyl-pyrrolidin-2-one at 100℃; for 3h;	100%

: 75-44-5
phosgene

: 121-91-5
isophthalic acid

A: 1459-93-4
dimethyl Isophthalate

B: 99-63-8
benzene-1,3-dicarbonyl dichloride

Conditions

Conditions	Yield
With pyridine In dichloromethane	A n/a B 100%

...Expand

: 121-91-5
isophthalic acid

: 2052-49-5
tetra(n-butyl)ammonium hydroxide

: 68124-65-2, 149182-00-3
bis(tetrabutylammonium) isophthatale

Conditions

Conditions	Yield
In methanol; water at 20℃;	100%
In methanol at 20℃; for 2h;

: 104-76-7
2-Ethylhexyl alcohol

: 121-91-5
isophthalic acid

: 137-89-3
Bis(2-ethylhexyl) isophthalate

Conditions

Conditions	Yield
With titanium(IV) isopropylate at 170 - 220℃; for 4.5h; Large scale;	99%
In 5,5-dimethyl-1,3-cyclohexadiene at 160℃; for 2h;	51%

: 2430-22-0
7-methyl-1-octanol

: 121-91-5
isophthalic acid

: diisononyl isophthalate

Conditions

Conditions	Yield
With titanium(IV) isopropylate at 170 - 220℃; for 4.5h; Large scale;	99%

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

: zinc(II) nitrate hexahydrate

: 5343-92-0
1,2-pentanediol

: 121-91-5
isophthalic acid

: 12Zn(2+)*6C8H4O4(2-)*3C6H12N2*6C5H10O2(2-)

Conditions

Conditions	Yield
Stage #1: 1,4-diaza-bicyclo[2.2.2]octane; zinc(II) nitrate hexahydrate; isophthalic acid In N,N-dimethyl-formamide for 1h; Stage #2: 1,2-pentanediol In N,N-dimethyl-formamide at 130℃; for 48h;	99%

...Expand

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

: 57-55-6
propylene glycol

: zinc(II) nitrate hexahydrate

: 121-91-5
isophthalic acid

: 12Zn(2+)*6C8H4O4(2-)*3C6H12N2*6C3H6O2(2-)

Conditions

Conditions	Yield
Stage #1: 1,4-diaza-bicyclo[2.2.2]octane; zinc(II) nitrate hexahydrate; isophthalic acid In N,N-dimethyl-formamide for 1h; Stage #2: propylene glycol In N,N-dimethyl-formamide at 130℃; for 48h;	99%

...Expand

: 121-91-5
isophthalic acid

: 95-54-5
1,2-diamino-benzene

: 29914-81-6
1,3-bis(2-benzimidazyl)benzene

Conditions

Conditions	Yield
at 230℃; for 6h;	98%
With polyphosphoric acid at 200℃; for 6h; Inert atmosphere;	94%
With phosphoric acid at 250℃; for 4h;	84%

: 121-91-5
isophthalic acid

: 122350-19-0
3,3'-carbonylbis<5-phenyl-1,3,4-oxadiazole-2(3H)-thione>

A: 3004-42-0
5-phenyl-1,3,4-oxadiazole-2(3H)-thione

B: 3,3'-isophthaloylbis<5-phenyl-1,3,4-oxadiazole-2(3H)-thione>

C CO2: CO2

Conditions

Conditions	Yield
With pyridine In various solvent(s) for 4h; Ambient temperature;	A n/a B 98% C n/a

...Expand

: 553-26-4
4,4'-bipyridine

: zinc(II) nitrate hexahydrate

: 121-91-5
isophthalic acid

: 859149-40-9, 894073-63-3
[Zn(isophthalate)(4,4'-bipyridyl)]

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 119.84℃; for 24h; Inert atmosphere;	98%

...Expand

: 884539-90-6
{(1R,2R)-2-[(-)-2-(3,5-di-tert-butyl-2-hydroxybenzylideneamino)cyclohexylimino]methyl}-6-tert-butylbenzene-1,4-diol

: 121-91-5
isophthalic acid

: (C6H10(NCHC6H2(tBu)2OH)(NCHC6H2(tBu)OH))2(C6H4(COO)2)

Conditions

Conditions	Yield
Stage #1: {(1R,2R)-2-[(-)-2-(3,5-di-tert-butyl-2-hydroxybenzylideneamino)cyclohexylimino]methyl}-6-tert-butylbenzene-1,4-diol; isophthalic acid With 4-(dimethylamino)pyridinium tosylate In dichloromethane at 20℃; for 0.25h; Schlenk technique; Inert atmosphere; Stage #2: With diisopropyl-carbodiimide at 20℃; for 40h; Schlenk technique; Inert atmosphere;	98%

: 7647-01-0
hydrogenchloride

: 66-71-7
1,10-Phenanthroline

: neodymium(III) oxide

: 121-91-5
isophthalic acid

: 7732-18-5
water

: [Nd2(bdc)3(phen)(H2O)]*H2O

Conditions

Conditions	Yield
With NaOH In water High Pressure; NdCl3*6H2O prepared by dissolution of Nd2O3 in hydrochloric acid mixed with H2bdc and phen , pH 5 (NaOH), sealed in a bomb, heated for 3 ds at 150°C, cooled to room temp.; ppt. filtered off, washed (ethanol), elem. anal.;	96.4%

...Expand

: 121-91-5
isophthalic acid

: 3971-31-1
cyclohexane-1,3-dicarboxylic acid

Conditions

Conditions	Yield
With hydrogen; acetic acid; 5% rhodium on alumina In methanol at 20℃; under 2585.81 Torr; for 24h;	96.3%
With hydrogen; acetic acid; Rh/Al2O3 In methanol at 20℃; under 2585.81 Torr;	96.3%
With hydrogen; acetic acid In methanol	96.3%

: 112-47-0
1,10-Decanediol

: 121-91-5
isophthalic acid

poly(decamethylene isophthalate), degree of polymerization > 200; monomers: isophthalic acid; 1,10-decanediol: poly(decamethylene isophthalate), degree of polymerization > 200; monomers: isophthalic acid; 1,10-decanediol

Conditions

Conditions	Yield
tetrachlorobis(tetrahydrofuran)hafnium(IV) In o-xylene for 96h; Heating;	96%

: 121-91-5
isophthalic acid

: 101-80-4
4,4'-oxydiphenylene diamine

: 782504-25-0
bis(5-methyl-1,3-phenylene)-20-crown-6

polymer, Mn 71.8 kg/mol by GPC, Mw/Mn 2.19; monomer(s): isophthalic acid; 4,4\-oxydianiline; bis(5-methyl-1,3-phenylene)-20-crown-6: polymer, Mn 71.8 kg/mol by GPC, Mw/Mn 2.19; monomer(s): isophthalic acid; 4,4\-oxydianiline; bis(5-methyl-1,3-phenylene)-20-crown-6

Conditions

Conditions	Yield
With pyridine; triphenyl phosphite; lithium chloride In 1-methyl-pyrrolidin-2-one at 100℃; for 3h;	96%

...Expand

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

: zinc(II) nitrate hexahydrate

: 121-91-5
isophthalic acid

: 584-03-2
1,2-dihydroxybutane

: 12Zn(2+)*6C8H4O4(2-)*3C6H12N2*6C4H8O2(2-)

Conditions

Conditions	Yield
Stage #1: 1,4-diaza-bicyclo[2.2.2]octane; zinc(II) nitrate hexahydrate; isophthalic acid In N,N-dimethyl-formamide for 1h; Stage #2: 1,2-dihydroxybutane In N,N-dimethyl-formamide at 130℃; for 48h;	96%

...Expand

: 121-91-5
isophthalic acid

: 626-18-6
1,3-dimethanol benzene

Conditions

Conditions	Yield
With borane-THF; boron trifluoride diethyl etherate In tetrahydrofuran at 20℃; for 18h;	95%
With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 60℃; for 19h;	94%
With lithium aluminium tetrahydride In tetrahydrofuran Heating;	75%
With sodium tetrahydroborate In tetrahydrofuran; ethanol at 20℃; for 3h;	69%
With sulfuric acid bei der elektrolytischen Reduktion;

: 121-91-5
isophthalic acid

: 101-80-4
4,4'-oxydiphenylene diamine

polymer, Mn 13.7 kg/mol by GPC, Mw/Mn 1.69; monomer(s): isophthalic acid; 4,4\-oxydianiline: polymer, Mn 13.7 kg/mol by GPC, Mw/Mn 1.69; monomer(s): isophthalic acid; 4,4\-oxydianiline

Conditions

Conditions	Yield
With pyridine; triphenyl phosphite In 1-methyl-pyrrolidin-2-one at 100℃; for 3h;	95%

: 121-91-5
isophthalic acid

: (3S,4S)-N3,N4-bis(((1S,2R)-2-phenylcyclopropyl)carbamoyl)pyrrolidine-3,4-dicarboxamide hydrochloride

: (3S,3’S,4S,4’S)-1,1’-isophthaloylbis-(N3,N4-bis((1S,2R)-2-phenylcyclopropyl)pyrrolidine-3,4-dicarboxainide)

Conditions

Conditions	Yield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 23℃; for 18h;	95%

: 492-98-8
2,2'-biimidazole

: 121-91-5
isophthalic acid

: 7732-18-5
water

: 6147-53-1
cobalt(II) diacetate tetrahydrate

: [Co(2,2'-biimidazole)2(OH2)2](isophthalate)*4H2O

Conditions

Conditions	Yield
In water 2,2'-biimidazole added to a soln. of metal acetate in hot water, a soln.of isophthalic acid in hot water added; concn., controlled evapn. at room temp. for 2-3 wk; elem. anal.;	94%

...Expand

Isophthalic acid Consensus Reports

Reported in EPA TSCA Inventory.

Isophthalic acid Specification

The Isophthalic acid is an organic compound with the formula C₈H₆O₄. The IUPAC name of this chemical is benzene-1,3-dicarboxylic acid. With the CAS registry number 121-91-5, it is also named as 1,2-Benzenedicarboxylic acid. The product's classification code is Skin / Eye Irritant. Mixed with terephthalic acid, isophthalic acid is used in the production of resins for drink bottles.

Physical properties about Isophthalic acid are: (1)ACD/LogP: 0.88 ; (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: 196.749 °C; (17)Enthalpy of Vaporization: 66.051 kJ/mol; (18)Boiling Point: 378.274 °C at 760 mmHg.

Preparation: this chemical can be prepared by benzene-1,3-dicarbaldehyde. This reaction will need reagent potassium permanganate.

Uses of Isophthalic acid: it can be used to produce isophthalic acid dimethyl ester. It will need reagent hydrogen chloride.

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 and avoid contact with skin and eyes. 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: c1ccc(c(c1)C(=O)O)C(=O)O
(2)InChI: InChI=1/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
(3)InChIKey: XNGIFLGASWRNHJ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
(5)Std. InChIKey: XNGIFLGASWRNHJ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	4200mg/kg (4200mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: EXCITEMENT	Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 246, Pg. 851, 1958.
rat	LD50	oral	10400mg/kg (10400mg/kg)		"Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 317, 1986.

Product Name

Isophthalic acid

Synthetic route

Isophthalic acid Consensus Reports

Isophthalic acid Specification

Related Products

Hot Products