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CAS No.: | 636-94-2 |
---|---|
Name: | 2-hydroxyterephthalic acid |
Article Data: | 146 |
Molecular Structure: | |
Formula: | C8H6O5 |
Molecular Weight: | 182.133 |
Synonyms: | Terephthalicacid, hydroxy- (6CI,7CI,8CI);2-Hydroxy-1,4-benzenedicarboxylic acid;2-Hydroxyterephthalic acid;3-Hydroxy-1,4-benzenedicarboxylic acid;Hydroxyterephthalic acid;Monohydroxyterephthalic acid;NSC 109098; |
Density: | 1.613 g/cm3 |
Melting Point: | 312-317℃ |
Boiling Point: | 436.932 °C at 760 mmHg |
Flash Point: | 232.186 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-36/37/38 |
Safety: | 26 |
PSA: | 94.83000 |
LogP: | 0.78860 |
2,5-dibromoterephtalic acid
A
2-hydroxyterephthalic acid
B
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 sodium hydroxide; sodium acetate; copper In water for 72h; Heating; | 99% |
With sodium hydroxide; sodium acetate; copper In water for 80h; Heating; | 99% |
With sodium acetate; copper; sodium hydroxide In water for 72h; Reflux; | 99% |
3-aminoterephthalic acid
2-hydroxyterephthalic acid
Conditions | Yield |
---|---|
Stage #1: 3-aminoterephthalic acid With sodium hydroxide In water Stage #2: With hydrogenchloride; sodium nitrite In water at 10 - 15℃; Stage #3: With water; copper(II) sulfate at 15 - 85℃; for 12h; | 85% |
With potassium nitrite; sulfuric acid Diazotization; | |
Stage #1: 3-aminoterephthalic acid With hydrogenchloride; sodium hydroxide; sodium nitrite In water at 10℃; for 4h; Stage #2: With copper(II) sulfate at 85℃; for 12h; |
Conditions | Yield |
---|---|
With photocatalytic titania-coated hollow glass microspheres In water Irradiation; | 35% |
With sodium phosphate buffer; dihydrogen peroxide; copper(II) sulfate In water Kinetics; Further Variations:; Reagents; OH radical generation without/with irradiation; Oxidation; | |
Multi-step reaction with 3 steps 1: HNO3+H2SO4 2: tin; hydrochloric acid 3: potassium nitrite; sulfuric acid / Diazotization View Scheme |
Conditions | Yield |
---|---|
With Fe3O4/C/ZnO core-shell composite; CR dye In water for 0.166667h; Irradiation; | |
With zinc(II) oxide In water Reagent/catalyst; UV-irradiation; |
2-hydroxyterephthalic acid
Conditions | Yield |
---|---|
In sodium hydroxide; sulfuric acid |
Conditions | Yield |
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With potassium carbonate at 300℃; |
Conditions | Yield |
---|---|
Stage #1: dimethyl aminoterephthalate With sulfuric acid; sodium nitrite at 0℃; for 0.5h; Stage #2: With sulfuric acid at 120℃; for 0.333333h; Sandmeyer reaction; Further stages.; | 66.5% |
Conditions | Yield |
---|---|
With sulfuric acid | |
In various solvent(s) Irradiation; |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: K2CO3 2: H2SO4 View Scheme |
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The CAS register number of 1,4-Benzenedicarboxylicacid, 2-hydroxy- is 636-94-2. It also can be called as 2-Hydroxyterephthalic acid and the systematic name about this chemical is 2-hydroxybenzene-1,4-dicarboxylic acid. The molecular formula about this chemical is C8H6O5 and the molecular weight is 182.1302. It belongs to the following product categories which include Carboxylic Acids; Phenyls & Phenyl-Het; Carboxylic Acids; Phenyls & Phenyl-Het and so on.
Physical properties about1,4-Benzenedicarboxylicacid, 2-hydroxy- are: (1)ACD/LogP: 2.76; (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: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 94.83 Å2; (10)Index of Refraction: 1.666; (11)Molar Refractivity: 41.995 cm3; (12)Molar Volume: 112.922 cm3; (13)Polarizability: 16.648x10-24cm3; (14)Surface Tension: 88.696 dyne/cm; (15)Density: 1.613 g/cm3; (16)Flash Point: 232.186 °C; (17)Enthalpy of Vaporization: 73.093 kJ/mol; (18)Boiling Point: 436.932 °C at 760 mmHg.
Preparation: this chemical can be prepared by bromo-terephthalic acid. This reaction will need reagent of sodium hydroxide.
Uses of 1,4-Benzenedicarboxylicacid, 2-hydroxy-: it can be used to produce 2,5-bis-(5-ethyl-benzooxazol-2-yl)-phenol with 4-ethyl-2-amino-phenol. This reaction will need reagent of PPA. The reaction time is 22 hours with reaction temperature of 200 °C. The yield is about 69%.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(cc1C(=O)O)O)C(=O)O
(2)InChI: InChI=1/C8H6O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
(3)InChIKey: CDOWNLMZVKJRSC-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H6O5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
(5)Std. InChIKey: CDOWNLMZVKJRSC-UHFFFAOYSA-N