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Cas Database |
| Name |
2,5-Dihydroxyterephthalic acid |
EINECS | 210-239-4 |
| CAS No. | 610-92-4 | Density | 1.779 g/cm3 |
| PSA | 115.06000 | LogP | 0.49420 |
| Solubility | N/A | Melting Point |
>300 °C(lit.) |
| Formula | C8H6O6 | Boiling Point | 498.9 °C at 760 mmHg |
| Molecular Weight | 198.132 | Flash Point | 269.6 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Terephthalicacid, 2,5-dihydroxy- (6CI,7CI,8CI);2,5-Dihydroxy-1,4-benzenedicarboxylic acid;2,5-Dihydroxyterephthalic acid;Hydroquinone-2,5-dicarboxylic acid;NSC 407960; |
Article Data | 42 |
2,5-Dihydroxyterephthalic acid Synthetic route
- 13731-82-3
2,5-dibromoterephtalic acid
- 610-92-4
2,5-dihydroxy-1,4-benzenedicarboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: 2,5-dibromoterephtalic acid With water; sodium carbonate; trans-N,N'-dimethylcyclohexane-1,2-diamine; copper(I) bromide In acetonitrile at 90℃; for 18h; Stage #2: With hydrogenchloride In water; acetonitrile at 25℃; Product distribution / selectivity; | 98% |
| Stage #1: 2,5-dibromoterephtalic acid With water; sodium carbonate for 1h; Heating / reflux; Stage #2: With water; trans-N,N'-dimethylcyclohexane-1,2-diamine; copper(I) bromide at 90℃; for 2h; Stage #3: With hydrogenchloride In water at 25℃; Product distribution / selectivity; | 97% |
| Stage #1: 2,5-dibromoterephtalic acid With water; sodium carbonate for 1h; Heating / reflux; Stage #2: 2,2,6,6-tetramethylheptane-3,5-dione; copper(I) bromide In water at 80℃; for 30h; Stage #3: With hydrogenchloride In water at 25℃; | 92% |
- 6289-46-9
dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
- 610-92-4
2,5-dihydroxy-1,4-benzenedicarboxylic acid
| Conditions | Yield |
|---|---|
| With 2-ethylanthraquinone; dihydrogen peroxide; potassium hydroxide In methanol Reagent/catalyst; Inert atmosphere; Reflux; | 97% |
- 13799-90-1
2,5-dichloroterephthalic acid
- 610-92-4
2,5-dihydroxy-1,4-benzenedicarboxylic acid
| Conditions | Yield |
|---|---|
| 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% |
- 13731-82-3
2,5-dibromoterephtalic acid
A
- 636-94-2
2-hydroxyterephthalic acid
B
- 610-92-4
2,5-dihydroxy-1,4-benzenedicarboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: 2,5-dibromoterephtalic acid With sodium carbonate In water for 1h; Heating / reflux; Stage #2: With water; 2,2,6,6-tetramethylheptane-3,5-dione; copper(I) bromide at 80℃; for 30h; Stage #3: With hydrogenchloride In water at 25℃; | A n/a B 92% |
| Conditions | Yield |
|---|---|
| With water; sodium hydroxide at 80℃; for 20h; | 87% |
| With alkali | |
| With sodium hydroxide In water at 80℃; for 5h; Inert atmosphere; |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide; trifluoroacetic acid In ethanol at 90℃; for 10h; Temperature; Reagent/catalyst; Solvent; | 80.6% |
| With dihydrogen peroxide In ethanol at 70℃; for 10h; Temperature; |
| Conditions | Yield |
|---|---|
| Stage #1: potassium formate; hydroquinone With potassium carbonate at 200℃; for 6h; Stage #2: With hydrogenchloride In water | 66% |
- 64-18-6
formic acid
- 124-38-9
carbon dioxide
- 584-08-7
potassium carbonate
- 123-31-9
hydroquinone
- 610-92-4
2,5-dihydroxy-1,4-benzenedicarboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: formic acid; carbon dioxide; potassium carbonate; hydroquinone at 210℃; for 6h; Inert atmosphere; Stage #2: With hydrogenchloride In water for 1h; | 52.5% |
| Conditions | Yield |
|---|---|
| With carbon dioxide; potassium carbonate at 210℃; for 6h; | 52% |
- 64-18-6
formic acid
- 124-38-9
carbon dioxide
- 123-31-9
hydroquinone
- 610-92-4
2,5-dihydroxy-1,4-benzenedicarboxylic acid
| Conditions | Yield |
|---|---|
| Stage #1: formic acid With potassium carbonate at 210℃; for 0.5h; Inert atmosphere; Stage #2: carbon dioxide; hydroquinone at 210℃; for 6h; Inert atmosphere; | 42% |
2,5-Dihydroxyterephthalic acid Chemical Properties
IUPAC Name: 2,5-dihydroxyterephthalic acid
Empirical Formula: C8H6O6
Molecular Weight: 198.1296g/mol
EINECS: 210-239-4
Structure of 1,4-Benzenedicarboxylicacid, 2,5-dihydroxy- (CAS NO.610-92-4):
Index of Refraction: 1.717
Molar Refractivity: 43.87 cm3
Molar Volume: 111.3 cm3
Polarizability: 17.39×10-24cm3
Surface Tension: 111.1 dyne/cm
Density: 1.779 g/cm3
Flash Point: 269.6 °C
Enthalpy of Vaporization: 80.79 kJ/mol
Melting Point: >300 °C(lit.)
Boiling Point: 498.9 °C at 760 mmHg
Vapour Pressure: 8.99E-11 mmHg at 25°C
Canonical SMILES: C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O
InChI: InChI=1S/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
InChIKey: OYFRNYNHAZOYNF-UHFFFAOYSA-N
2,5-Dihydroxyterephthalic acid Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
2,5-Dihydroxyterephthalic acid Specification
1,4-Benzenedicarboxylicacid, 2,5-dihydroxy- , its cas register number is 610-92-4. It also can be called AI3-17877 ; 2,5-Dihydroxyterephthalic acid . 1,4-Benzenedicarboxylicacid, 2,5-dihydroxy- (CAS NO.610-92-4) is orritating to eyes, respiratory system and skin. So you should wear suitable gloves and eye/face protection.
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