2-Chloro-1,4-benzenedicarboxylic acid
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2-Chloro-1,4-benzenedicarboxylic acid
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CAS No:
1967-31-3
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Formula:
C8H5ClO4
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Chemical Name:
2-Chloro-1,4-benzenedicarboxylic acid
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Synonyms:
1,4-Benzenedicarboxylic acid,2-chloro-;Terephthalic acid,chloro-;2-Chloro-1,4-benzenedicarboxylic acid;2-Chloroterephthalic acid;Chloroterephthalic acid;3-Chloro-4-carboxybenzoic acid;NSC 20548;2-Chlorobenzene-1,4-dicarboxylic acid
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CAS No:
2-Chloro-1,4-benzenedicarboxylic acid Basic Attributes
200.5759
200.58
217-817-5
20548
DTXSID50173339
2915900090
Characteristics
74.6
1.7
1.586±0.06 g/cm3(Predicted)
306-308 °C
400.5±30.0 °C(Predicted)
196ºC
1.63
3.91E-07mmHg at 25°C
2-Chloro-1,4-benzenedicarboxylic acid Use and Manufacturing
h) Synthesis H: Chloroterephthalic Acid; 6 g (0.043 mol) of chloroxylene (sold by the company Aldrich, >99percent), 16 ml of nitric acid (sold by the company VWR, 70percent) and 60 ml of distilled water are introduced into a 120 ml Teflon body. This body is placed in a Paar metal bomb and heated at 170° C. for 12 hours. The product is recovered by filtration and then washed thoroughly with distilled water. A yield of 75percent is obtained.1H NMR (300 MHz, d6-DMSO): δ (ppm): 7.86 (d, J=7.8 Hz), 7.93 (dd, J=7.8; 1.2 Hz), 7.96 (d, J=1.2 Hz).6 g (0.043 mol) of chloroxylene (marketed by Aldrich, >99percent), 16 ml of nitric acid (marketed by VWR, 70percent) and 60 ml of distilled water are introduced into a 120 ml Teflon vessel.IE) dimethyl l-amino-S-chloro-l^-benzenedicarboxylate; Step 1:; To a suspension of 2-amino terephthalic acid (10 g, 55 mmole) in cone, hydrochloric acid (14.3 ml) and water (28.6 ml) a solution of sodium nitrite (3.8 g, 55 mmole) in water (18 ml) was added between 0-5h) Synthesis H Chloroterephthalic acid 6 g (0.043 mol) of chloroxylene (sold by the company Aldrich, >99%), 16 ml of nitric acid (sold by the company VWR, 70%) and 60 ml of distilled water are introduced into a 120 ml Teflon body. This body is placed in a Paar metal bomb and heated at 170 C. for 12 hours. The product is recovered by filtration and then washed thoroughly with distilled water. A yield of 75% is obtained. 1H NMR (300 MHz, d6-DMSO): delta (ppm): 7.86 (d, J=7.8 Hz), 7.93 (dd, J=7.8; 1.2 Hz), 7.96 (d, J=1.2 Hz).a) Synthesis A: Synthesis of Chloroterephthalic Acid 6 g (0.043 mol) of chloroxylene (sold by the company Aldrich, >99%), 16 ml of nitric acid (sold by the company VWR, 70%) and 60 ml of distilled water are introduced into a 120 ml Teflon body. The latter is placed in a Paar metal bomb, and heated at 170 C. for 12 hours. The product is recovered by filtration, and then washed thoroughly with distilled water. A yield of 75% is obtained. 1H NMR (300 MHz, d6-DMSO): delta (ppm): 7.86 (d, J=7.8 Hz), 7.93 (dd, J=7.8; 1.2 Hz), 7.96 (d, J=1.2 Hz).46.8 g of 67 mL of 2-chloro-1, 4-dimethylbenzene and 356 g of Potassium Permanganate were refluxed in 1.5 L of H2O for several hours and monitored for disappearance of starting material by TLC. The Potassium Permanganate was filtered and the reaction mixture was acidified and filtered to yield
Computed Properties
Molecular Weight:200.57
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:199.9876363
Monoisotopic Mass:199.9876363
Topological Polar Surface Area:74.6
Heavy Atom Count:13
Complexity:228
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Chloro-1,4-benzenedicarboxylic acid
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