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2,5-Dimethylterephthalic acid

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Name

2,5-Dimethylterephthalic acid

EINECS N/A
CAS No. 6051-66-7 Density 1.32 g/cm3
PSA 74.60000 LogP 1.69980
Solubility N/A Melting Point N/A
Formula C10H10O4 Boiling Point 386.8 °C at 760 mmHg
Molecular Weight 194.187 Flash Point 201.9 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 6051-66-7 (2,5-Dimethylterephthalic acid) Hazard Symbols N/A
Synonyms

Terephthalic acid, 2,5-dimethyl- (6CI,7CI,8CI);2,5-Dimethyl-1,4-benzenedicarboxylic acid;2,5-Dimethyl-1,4-phenylenediaceticacid;2,5-Dimethylterephthalic acid;NSC 174018;b-Cumidicacid;

Article Data 16

2,5-Dimethylterephthalic acid Synthetic route

106353-74-6

1,2,4,5-tetrahydro-p-xylene-3,6-dicarboxylic acid

6051-66-7

2,5-dimethylterephthalic acid

Conditions
ConditionsYield
With palladium on activated charcoal93%
109-99-9

tetrahydrofuran

1074-24-4

2,5-dibromo-p-xylene

6051-66-7

2,5-dimethylterephthalic acid

Conditions
ConditionsYield
Stage #1: tetrahydrofuran; 2,5-dibromo-p-xylene With magnesium at 60℃; Schlenk technique; Inert atmosphere; Glovebox;
Stage #2: With iodine at 60℃; Schlenk technique; Inert atmosphere;
54%
124-38-9

carbon dioxide

582-25-2

Potassium benzoate

A

100-21-0

terephthalic acid

B

5156-01-4

2-methylterephthalic acid

C

6051-66-7

2,5-dimethylterephthalic acid

D

18087-49-5

2,3,5-trimethyl-1,4-dicarboxybenzene

E

14458-05-0

2,3,5,6-tetramethyl-1,4-benzenedicarboxylic acid

Conditions
ConditionsYield
With potassium acetate; potassium phthalate; zinc(II) oxide at 450℃; under 25858.1 Torr; Henkel Reaction;A 50%
B n/a
C n/a
D n/a
E n/a
124-38-9

carbon dioxide

1074-24-4

2,5-dibromo-p-xylene

6051-66-7

2,5-dimethylterephthalic acid

Conditions
ConditionsYield
Stage #1: 2,5-dibromo-p-xylene With N,N,N,N,-tetramethylethylenediamine; tert.-butyl lithium In tetrahydrofuran; pentane at -70℃; for 2.5h;
Stage #2: carbon dioxide at -70℃; Further stages.;
40%
Stage #1: 2,5-dibromo-p-xylene With n-butyllithium In tetrahydrofuran; pentane at -70℃; for 2.5h; Inert atmosphere;
Stage #2: carbon dioxide In tetrahydrofuran; pentane Cooling with acetone-dry ice;
95-93-2

1,2,4,5-tetramethylbenzene

A

6051-66-7

2,5-dimethylterephthalic acid

B

2790-09-2

4,6-dimethylisophthalic acid

Conditions
ConditionsYield
With nitric acid
39095-25-5

2,5-dimethylbenzene-1,4-dicarbonitrile

6051-66-7

2,5-dimethylterephthalic acid

Conditions
ConditionsYield
With sulfuric acid
With potassium hydroxide In diethylene glycol Heating;
528-90-5

2,4,5-trimethylbenzoic acid

A

6051-66-7

2,5-dimethylterephthalic acid

B

2790-09-2

4,6-dimethylisophthalic acid

Conditions
ConditionsYield
With permanganate(VII) ion
40920-67-0

2,5-dimethyl-4-ethylacetophenone

A

89-05-4

1,2,4,5-benzenetetracarboxylic acid

B

6051-66-7

2,5-dimethylterephthalic acid

Conditions
ConditionsYield
With nitric acid at 140 - 150℃; im Rohr;
95-93-2

1,2,4,5-tetramethylbenzene

7697-37-2

nitric acid

A

6051-66-7

2,5-dimethylterephthalic acid

B

2790-09-2

4,6-dimethylisophthalic acid

C

528-90-5

2,4,5-trimethylbenzoic acid

2.4.5-trimethyl-phenylglyoxylic acid

2.4.5-trimethyl-phenylglyoxylic acid

A

6051-66-7

2,5-dimethylterephthalic acid

B

2.4.5-trimethyl-benzoic acid , 4.6-dimethyl-isophthalic acid

2.4.5-trimethyl-benzoic acid , 4.6-dimethyl-isophthalic acid

Conditions
ConditionsYield
With nitric acid

2,5-Dimethylterephthalic acid Specification

The 2,5-Dimethylterephthalic acid, with CAS registry number 6051-66-7, belongs to the following product categories: (1)Fluorenes, etc. (reagent for high-performance polymer research); (2)Functional Materials; (3)Reagent for High-Performance Polymer Research. It has the systematic name of 4,4'-ethyne-1,2-diyldianiline. And the chemical formula of this chemical is C10H10O4.

Physical properties of 2,5-Dimethylterephthalic acid: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.6 Å2; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 49.76 cm3; (13)Molar Volume: 147 cm3; (14)Polarizability: 19.72×10-24cm3; (15)Surface Tension: 58.5 dyne/cm; (16)Density: 1.32 g/cm3; (17)Flash Point: 201.9 °C; (18)Enthalpy of Vaporization: 67.06 kJ/mol; (19)Boiling Point: 386.8 °C at 760 mmHg; (20)Vapour Pressure: 1.12E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2,4,5-tetrahydro-p-xylene-3,6-dicarboxylic acid. This reaction will need reagent 5% Pd/C. The yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
The 2,5-Dimethylterephthalic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: O=C(O)c1cc(c(cc1C)C(=O)O)C
(2)InChI: InChI=1/C10H10O4/c1-5-3-8(10(13)14)6(2)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14)
(3)InChIKey: FKUJGZJNDUGCFU-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H10O4/c1-5-3-8(10(13)14)6(2)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H,13,14)
(5)Std. InChIKey: FKUJGZJNDUGCFU-UHFFFAOYSA-N

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