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2,5-DICHLOROTEREPHTHALIC ACID is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

13799-90-1

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13799-90-1 Usage

Chemical Properties

White solid

Check Digit Verification of cas no

The CAS Registry Mumber 13799-90-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,7,9 and 9 respectively; the second part has 2 digits, 9 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 13799-90:
(7*1)+(6*3)+(5*7)+(4*9)+(3*9)+(2*9)+(1*0)=141
141 % 10 = 1
So 13799-90-1 is a valid CAS Registry Number.
InChI:InChI=1/C8H4Cl2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,(H,11,12)(H,13,14)/p-2

13799-90-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 2,5-Dichloroterephthalic Acid

1.2 Other means of identification

Product number -
Other names 1,4-Benzenedicarboxylic acid, 2,5-dichloro-

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:13799-90-1 SDS

13799-90-1Synthetic route

1,4-dichloro-2,5-dimethylbenzene
1124-05-6

1,4-dichloro-2,5-dimethylbenzene

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

Conditions
ConditionsYield
With potassium permanganate In pyridine72%
With potassium permanganate; Aliquat 336 In water at 80℃; for 72h;64%
Stage #1: 1,4-dichloro-2,5-dimethylbenzene With pyridine; potassium permanganate In water at 100℃; for 12h;
Stage #2: With hydrogenchloride In water pH=1;
53%
1,4-dichloro-2,5-dimethylbenzene
1124-05-6

1,4-dichloro-2,5-dimethylbenzene

A

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

B

2,5-dichloro-p-carboxybenzaldehyde
128230-05-7

2,5-dichloro-p-carboxybenzaldehyde

Conditions
ConditionsYield
With oxygen; cobalt(II) acetate; sodium bromide In acetic acid at 95℃; under 760 Torr;A 22%
B 71%
dimethyl 2,5-dichloro-terephthalate
3293-89-8

dimethyl 2,5-dichloro-terephthalate

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

Conditions
ConditionsYield
With potassium hydroxide In tetrahydrofuran; water at 66℃; Sandmeyer Reaction;69%
1,4-dichloro-2,5-dimethylbenzene
1124-05-6

1,4-dichloro-2,5-dimethylbenzene

A

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

B

2,5-dichloro-4-methylbenzoic acid
21460-88-8

2,5-dichloro-4-methylbenzoic acid

C

2,5-dichloro-p-carboxybenzaldehyde
128230-05-7

2,5-dichloro-p-carboxybenzaldehyde

D

2,5-dichloro-p-carboxybenzyl bromide

2,5-dichloro-p-carboxybenzyl bromide

E

2,5-dichloro-p-carboxybenzyl acetate
128230-06-8

2,5-dichloro-p-carboxybenzyl acetate

Conditions
ConditionsYield
With oxygen; cobalt(II) acetate; sodium bromide In acetic acid at 95℃; under 760 Torr; for 4h; Product distribution;A 13.7%
B 65.4%
C 16.7%
D 0.6%
E 3.6%
1,2,4,5-tetrachlorobenzene
95-94-3

1,2,4,5-tetrachlorobenzene

carbon dioxide
124-38-9

carbon dioxide

A

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

B

benzoic acid
65-85-0

benzoic acid

C

para-chlorobenzoic acid
74-11-3

para-chlorobenzoic acid

D

3-chlorobenzoate
535-80-8

3-chlorobenzoate

Conditions
ConditionsYield
With tetrabutylammomium bromide In N,N-dimethyl-formamide at -5 - 0℃; Dehalogenation; Carboxylation; Electrochemical reaction; Further byproducts given;A 17%
B 3%
C 2%
D 1%
2,5-dichloro-1,4-bis-(trichloromethyl)-benzene
2142-29-2

2,5-dichloro-1,4-bis-(trichloromethyl)-benzene

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

Conditions
ConditionsYield
With sulfuric acid
2,5-dichloro-cyclohexa-1,4-diene-1,4-dicarboxylic acid

2,5-dichloro-cyclohexa-1,4-diene-1,4-dicarboxylic acid

A

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

B

2,5-dichloro-3-nitro-terephthalic acid
77350-06-2

2,5-dichloro-3-nitro-terephthalic acid

Conditions
ConditionsYield
With water; nitric acid
formaldehyd
50-00-0

formaldehyd

benzene
71-43-2

benzene

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

Conditions
ConditionsYield
With water; chlorine; zinc(II) chloride anschliessendes Behandeln mit wss. NaOH;
2,5-dichloro-p-carboxybenzaldehyde
128230-05-7

2,5-dichloro-p-carboxybenzaldehyde

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

Conditions
ConditionsYield
With sodium hydroxide; potassium permanganate at 75 - 80℃; Yield given;
2.5-dichloro-cymene

2.5-dichloro-cymene

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

Conditions
ConditionsYield
With nitric acid at 190℃; im geschlossenen Rohr;
2.5-dichloro-p-cymene

2.5-dichloro-p-cymene

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

Conditions
ConditionsYield
With nitric acid
2.5-dichloro-p-xylene

2.5-dichloro-p-xylene

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

sulfuric acid
7664-93-9

sulfuric acid

2,5-dichloro-1,4-bis-(trichloromethyl)-benzene
2142-29-2

2,5-dichloro-1,4-bis-(trichloromethyl)-benzene

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

Conditions
ConditionsYield
at 70 - 100℃;
at 70 - 100℃;
2,5-dichloro-p-cymene
81686-41-1

2,5-dichloro-p-cymene

nitric acid
7697-37-2

nitric acid

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

2,5-dichloro-cyclohexa-1,4-diene-1,4-dicarboxylic acid

2,5-dichloro-cyclohexa-1,4-diene-1,4-dicarboxylic acid

alkaline potassium ferricyanide

alkaline potassium ferricyanide

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

2,5-dichloro-cyclohexa-1,4-diene-1,4-dicarboxylic acid

2,5-dichloro-cyclohexa-1,4-diene-1,4-dicarboxylic acid

nitric acid
7697-37-2

nitric acid

A

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

B

2,5-dichloro-3-nitro-terephthalic acid
77350-06-2

2,5-dichloro-3-nitro-terephthalic acid

2-amino-5-chloro-terephthalic acid dimethyl ester
32888-87-2

2-amino-5-chloro-terephthalic acid dimethyl ester

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: hydrogenchloride; sodium nitrite / water / 1 h / 0 °C
1.2: 3 h / 0 - 20 °C
2.1: potassium hydroxide / water; tetrahydrofuran / 66 °C
View Scheme
2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

2,5-dihydroxy-1,4-benzenedicarboxylic acid
610-92-4

2,5-dihydroxy-1,4-benzenedicarboxylic acid

Conditions
ConditionsYield
Stage #1: 2,5-dichloroterephthalic acid With water; sodium carbonate for 1h; Heating / reflux;
Stage #2: With water; trans-N,N'-dimethyl-1,2-cyclohexyldiamine; copper(I) bromide at 80℃; for 20h;
Stage #3: With hydrogenchloride In water at 25℃; Product distribution / selectivity;
94%
Stage #1: 2,5-dichloroterephthalic acid With water; sodium carbonate for 1h; Heating / reflux;
Stage #2: With water; trans-N,N'-dimethylcyclohexane-1,2-diamine; copper(I) bromide at 80℃; for 20h;
Stage #3: With hydrogenchloride In water at 25℃; Product distribution / selectivity;
94%
1-dodecyl alcohol
112-53-8

1-dodecyl alcohol

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

2,5-Dichloro-terephthalic acid didodecyl ester
99288-93-4

2,5-Dichloro-terephthalic acid didodecyl ester

Conditions
ConditionsYield
toluene-4-sulfonic acid88%
2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

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

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

(3S,3’S,4S,4’S)-1,1-(2,5-dichloroterephthaloyl)-bis(N3,N4-bis((1S,2R)-2-phenylcyclopropyl)pyrrolidine-3,4-dicarboxamide)

(3S,3’S,4S,4’S)-1,1-(2,5-dichloroterephthaloyl)-bis(N3,N4-bis((1S,2R)-2-phenylcyclopropyl)pyrrolidine-3,4-dicarboxamide)

Conditions
ConditionsYield
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 23℃; for 18h;87%
2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

2,5-dichloroterephthaloyl dichloride
13234-55-4

2,5-dichloroterephthaloyl dichloride

Conditions
ConditionsYield
With thionyl chloride In benzene85%
With thionyl chloride; N,N-dimethyl-formamide In cyclohexane for 4h; Heating;81%
With phosphorus pentachloride
With thionyl chloride In benzene for 24h; Heating;
With thionyl chloride In N,N-dimethyl-formamide at 85℃; for 6h;
cadmium(II) nitrate tetrhydrate

cadmium(II) nitrate tetrhydrate

4,4'-methylenebis(3,5-dimethylpyrazole)
83524-76-9

4,4'-methylenebis(3,5-dimethylpyrazole)

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

C8H2Cl2O4(2-)*Cd(2+)*C11H16N4

C8H2Cl2O4(2-)*Cd(2+)*C11H16N4

Conditions
ConditionsYield
In water at 160℃; for 72h; Autoclave;79%
2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

benzyl bromide
100-39-0

benzyl bromide

2,5-dichloro-terephthalic acid dibenzyl ester
863904-41-0

2,5-dichloro-terephthalic acid dibenzyl ester

Conditions
ConditionsYield
With potassium carbonate In DMF (N,N-dimethyl-formamide) for 4h;75%
1,3,5-tris(1-imidazolyl)benzene

1,3,5-tris(1-imidazolyl)benzene

zinc(II) nitrate hexahydrate

zinc(II) nitrate hexahydrate

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

water
7732-18-5

water

Zn(2+)*C8H2Cl2O4(2-)*C15H12N6*H2O

Zn(2+)*C8H2Cl2O4(2-)*C15H12N6*H2O

Conditions
ConditionsYield
In N,N-dimethyl-formamide at 85℃; for 72h; Sealed tube; Autoclave; High pressure;71%
cobalt(II) nitrate hexahydrate

cobalt(II) nitrate hexahydrate

4,4'-methylenebis(3,5-dimethylpyrazole)
83524-76-9

4,4'-methylenebis(3,5-dimethylpyrazole)

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

C8H2Cl2O4(2-)*Co(2+)*C11H16N4*0.5H2O

C8H2Cl2O4(2-)*Co(2+)*C11H16N4*0.5H2O

Conditions
ConditionsYield
In water at 160℃; for 72h; Autoclave;68%
nickel(II) chloride hexahydrate

nickel(II) chloride hexahydrate

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

water
7732-18-5

water

1,4-bis-(1H-imidazol-1-yl)benzene
25372-07-0

1,4-bis-(1H-imidazol-1-yl)benzene

{Ni(1,4-bis(1H-imidazol-1-yl)benzene)1.5(2,5-dichloroterephthalato)*H2O}n

{Ni(1,4-bis(1H-imidazol-1-yl)benzene)1.5(2,5-dichloroterephthalato)*H2O}n

Conditions
ConditionsYield
With sodium hydroxide In acetonitrile at 140℃; for 72h; pH=6.78; pH-value; Solvent; Temperature; Autoclave;65%
2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

nickel(II) acetate tetrahydrate
6018-89-9

nickel(II) acetate tetrahydrate

1,4-bis-(N-benzimidazolyl)butane
39677-03-7

1,4-bis-(N-benzimidazolyl)butane

[Ni(1,1'-(1,4-butanediyl)bis-1H-benzimidazole)(2,5-dichloroterephthalate)]n

[Ni(1,1'-(1,4-butanediyl)bis-1H-benzimidazole)(2,5-dichloroterephthalate)]n

Conditions
ConditionsYield
In water at 140℃; for 72h; High pressure;57.6%
copper(II) nitrate trihydrate

copper(II) nitrate trihydrate

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

1,2-bis(2-methylbenzimidazole-1-ylmethyl)benzene

1,2-bis(2-methylbenzimidazole-1-ylmethyl)benzene

[Cu(1,2-bis(2-methylbenzimidazol-1-ylmethyl)benzene)(DCTP)]n

[Cu(1,2-bis(2-methylbenzimidazol-1-ylmethyl)benzene)(DCTP)]n

Conditions
ConditionsYield
In water at 140℃; for 72h; Autoclave;57.6%
copper(II) nitrate trihydrate

copper(II) nitrate trihydrate

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

1,4-bis-(N-benzimidazolyl)butane
39677-03-7

1,4-bis-(N-benzimidazolyl)butane

[Cu(1,1'-(1,4-butanediyl)bis-1H-benzimidazole)(DCTP)]n

[Cu(1,1'-(1,4-butanediyl)bis-1H-benzimidazole)(DCTP)]n

Conditions
ConditionsYield
In water at 140℃; for 72h; Autoclave;57.6%
zinc acetate hydrate

zinc acetate hydrate

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

1,3-bis((5,6-dimethyl-1H-benzo[d]imidazol-1-yl)methyl)benzene
1379586-08-9

1,3-bis((5,6-dimethyl-1H-benzo[d]imidazol-1-yl)methyl)benzene

C8H2Cl2O4(2-)*Zn(2+)*C26H26N4

C8H2Cl2O4(2-)*Zn(2+)*C26H26N4

Conditions
ConditionsYield
In water at 140℃; for 72h; Autoclave;57.4%
2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

cobalt(II) diacetate tetrahydrate
6147-53-1

cobalt(II) diacetate tetrahydrate

1,4-bis-(N-benzimidazolyl)butane
39677-03-7

1,4-bis-(N-benzimidazolyl)butane

C8H2Cl2O4(2-)*Co(2+)*C18H18N4

C8H2Cl2O4(2-)*Co(2+)*C18H18N4

Conditions
ConditionsYield
In water at 140℃; for 72h; High pressure; Autoclave;56.7%
1,3,5-tris(1-imidazolyl)benzene

1,3,5-tris(1-imidazolyl)benzene

zinc(II) nitrate hexahydrate

zinc(II) nitrate hexahydrate

2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

water
7732-18-5

water

2Zn(2+)*C8H2Cl2O4(2-)*2C8H3Cl2O4(1-)*2C15H12N6*2H2O

2Zn(2+)*C8H2Cl2O4(2-)*2C8H3Cl2O4(1-)*2C15H12N6*2H2O

Conditions
ConditionsYield
In methanol; N,N-dimethyl-formamide at 85℃; for 72h; Sealed tube; Autoclave; High pressure;56%
2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

1,4-bis(5,6-dimethylbenzimidazol-1-yl)-2-butylene

1,4-bis(5,6-dimethylbenzimidazol-1-yl)-2-butylene

cobalt(II) diacetate tetrahydrate
6147-53-1

cobalt(II) diacetate tetrahydrate

C22H24N4*C8H2Cl2O4(2-)*Co(2+)

C22H24N4*C8H2Cl2O4(2-)*Co(2+)

Conditions
ConditionsYield
In water at 140℃; for 72h; High pressure; Autoclave;53.8%
2,5-dichloroterephthalic acid
13799-90-1

2,5-dichloroterephthalic acid

1,2-bis(5,6-dimethylbenzimidazole-1-ylmethyl)benzene
1448510-69-7

1,2-bis(5,6-dimethylbenzimidazole-1-ylmethyl)benzene

manganese (II) acetate tetrahydrate
6156-78-1

manganese (II) acetate tetrahydrate

[Mn2(2,5-dichloroterephthalate)2(1,2-bis(5,6-dimethylbenzimidazol-1-ylmethyl)benzene)3]n

[Mn2(2,5-dichloroterephthalate)2(1,2-bis(5,6-dimethylbenzimidazol-1-ylmethyl)benzene)3]n

Conditions
ConditionsYield
In water at 140℃; for 72h; Autoclave; High pressure;53.8%

13799-90-1Relevant academic research and scientific papers

Flexibility in metal-organic frameworks derived from positional and electronic effects of functional groups

Ha, Hyeonbin,Hahm, Hyungwoo,Jwa, Dong Gyun,Yoo, Kwangho,Park, Myung Hwan,Yoon, Minyoung,Kim, Youngjo,Kim, Min

, p. 5361 - 5368 (2017/09/26)

The position of identical functional groups and the subsequent electron density of structural benzene rings in a zinc-based metal-organic framework (MOF) have been controlled to reveal flexibility (or breathing behavior) differences. Both ortho- and para-positioned bi-functional benzene-1,4-dicarboxylic acid (BDC) ligands were synthesized with amino-, chloro-, methoxy-, and nitro groups. Additionally, two tri-functionalized, dimethoxy-amino and dimethoxy-nitro BDCs were prepared. All bi- and tri-functionalized BDCs were successfully incorporated into DABCO MOFs (DMOFs), except two diamino BDCs which were insoluble and thermally unstable. Among the eight bi-/tri-functionalized DMOFs, only para-dimethoxy exhibited flexibility in its framework after evacuation in preparation for N2 isotherm measurement. Since the dimethoxy combination has the most electron-rich environment in the benzene ring of the BDC in this series, this indicates that electron density plays a role in the flexibility changes of identically bi-functionalized DMOFs. However, the electron density alone could not fully explain the flexibility changes suggesting that the position of the functional groups is also important. These findings have been corroborated through the synthesis of two tri-functionalized DMOFs with identical functional group locations but opposite electronic environments.

Quinacridone nanoscale pigment particles

-

Page/Page column 21-22, (2008/12/07)

A nanoscale pigment particle composition includes a quinacridone pigment including at least one functional moiety, and a sterically bulky stabilizer compound including at least one functional group, wherein the functional moiety associates non-covalently with the functional group; and the presence of the associated stabilizer limits the extent of particle growth and aggregation, to afford nanoscale-sized particles.

PROCESS FOR THE SYNTHESIS OF HALOGENATED AROMATIC DIACIDS

-

Page/Page column 17, (2008/12/07)

The production of high-purity halogenated aromatic diacids from halogenated dimethylbenzene by oxidation with an oxygen-containing gas is conducted using a four-component catalyst system and a two-stage temperature process.

Synthesis of novel polycyclic ring systems containing two pyrano[2,3-c]pyrazol-4-(1H)one moieties

Eller,Wimmer,Holzer

, p. 1060 - 1064 (2008/09/18)

Novel penta-or heptacyclic ring systems containing two pyrano[2,3-c] pyrazol-4(1H)-one units are prepared in one or two steps from the reaction of 3-methyl-1-phenyl-2-pyrazolin-5-one and bis(o-chlorocarbonyl chlorides) derived from benzene-or 1,10-phenanthroline.

Electrocarboxylation of chlorinated aromatic compounds

Golinske, Dirk,Voss, Juergen,Adiwidjaja, Gunadi

, p. 862 - 880 (2007/10/03)

Chorinated benzenes (1, 4), biphenyls (6, 9), dibenzofurans (10, 15, 17, 18), 2-chlorodibenzo[1,4]dioxine (24) and 1-chloronaphthalene (26) as well as dibenzofuran (12) and naphthalene (27) themselves were transformed into carboxylic acids by galvanostatic electroreduction in the presence of carbon dioxide ("electrocarboxylation"). Dry DMF was used as solvent, zinc or stainless steel as cathode and magnesium as a sacrificial anode in an undivided cell. Hydrogenation of aromatic rings was not observed. However, reductive addition of two molecules of carbon dioxide to form dihydrodicarboxylic acids, e.g. 22 and 29, occurs in the dibenzofuran and naphthalene series.

The Synthesis of some Benzodiisothiazoles

McKinnon, David M.,Abouzeid, Azza A.

, p. 445 - 448 (2007/10/02)

Four examples of benzodiisothiazoles have been made by cyclisation of appropriate o-alkylthioarylketoximes by simultaneous or consecutive ring formation.

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