3,4-Thiophenedicarboxylic acid
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3,4-Thiophenedicarboxylic acid
structure -
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CAS No:
4282-29-5
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Formula:
C6H4O4S
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Chemical Name:
3,4-Thiophenedicarboxylic acid
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Synonyms:
3,4-Thiophenedicarboxylic acid;NSC 672208;NSC 81793
- Categories:
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CAS No:
3,4-Thiophenedicarboxylic acid Basic Attributes
172.16
172.16
672208|81793
DTXSID30292335
2934999090
Characteristics
103
0.7
Yellow to beige-pinkish or light brown Crystalline Powder
1.7±0.1 g/cm3
230-231 °C
405.9°C at 760 mmHg
199.3±24.6 °C
1.663
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
24/25
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,4-Thiophenedicarboxylic acid Use and Manufacturing
Thiophene-3, 4-dicarbonitrile (13.4 g, 100 mmol) and KOH (56.1 g, 1 mol) were dissolved in ethylene glycol (167 ml), and heated under stirring overnight. The solution was cooled and put into distilled water, and washed with diethyl ether. The aqueous layer was oxidized with saturated hydrochloric acid, and organic materials were extracted with ethyl acetate. The organic layer was dried over MgSO and the4, solvent was evaporated Then, recrystallization was performed in distilled water to obtain thiophene-3, 4-dicarboxylic acid (15.2 g, 88percent).2) Dimethyl thiophene-3, 4-dicarboxylate was in round-bottom flask. To this 1M solution of NaOH was added and the mixture was stirred at 80
Computed Properties
Molecular Weight:172.16
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:171.98302978
Monoisotopic Mass:171.98302978
Topological Polar Surface Area:103
Heavy Atom Count:11
Complexity:171
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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