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CAS No.: | 1723-27-9 |
---|---|
Name: | THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C7H4O2S2 |
Molecular Weight: | 184.24 |
Synonyms: | Thieno[3,2-b]thiophene-2-carboxylic acid; |
Density: | 1.601 g/cm3 |
Melting Point: | 225-227 °C |
Boiling Point: | 386.7 °C at 760 mmHg |
Flash Point: | 187.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
Safety: | 26-37/39-39 |
PSA: | 93.78000 |
LogP: | 2.66100 |
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The Thieno[3,2-b]thiophene-2-carboxylicacid is an organic compound with the formula C7H4O2S2. The systematic name of this chemical is Thieno[3,2-b]thiophene-2-carboxylic acid. With the CAS registry number 1723-27-9, it is also named as Thiopheno[3,2-b]thiophene-2-carboxylic acid. The product's categories are Carboxylic Acids; Thiophenes and Benzothiophenes; Carboxylic Acids; Fused Ring Systems; Thiophenes and Benzothiophenes. Besides, its molecular weight is 184.24.
Physical properties about Thieno[3,2-b]thiophene-2-carboxylicacid are: (1)ACD/LogP: 4.91; (2)ACD/LogD (pH 5.5): 2.84; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 27.18; (5)ACD/BCF (pH 7.4): 2.57; (6)ACD/KOC (pH 5.5): 95.52; (7)ACD/KOC (pH 7.4): 9.04; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 82.78 Å2; (12)Index of Refraction: 1.769; (13)Molar Refractivity: 47.79 cm3; (14)Molar Volume: 115 cm3; (15)Polarizability: 18.94×10-24 cm3; (16)Surface Tension: 75.9 dyne/cm; (17)Density: 1.601 g/cm3; (18)Flash Point: 187.6 °C; (19)Enthalpy of Vaporization: 67.04 kJ/mol; (20)Boiling Point: 386.7 °C at 760 mmHg; (21)Vapour Pressure: 1.14E-06 mmHg at 25 °C.
Preparation: this chemical can be prepared by Thieno[3,2-b]thiophene-2-carboxylic acid ethyl ester. This reaction will need reagent LiOH and solvent tetrahydrofuran. The reaction time is 3 hours. The yield is about 90%.
Uses of Thieno[3,2-b]thiophene-2-carboxylicacid: it can be used to produce Thieno[3,2-b]thiophene at temperature of 260 °C. It will need reagents Cu; quinoline with reaction time of 30 min. The yield is about 88%.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9)
(2)InChIKey: GVZXSZWCZGKLRS-UHFFFAOYAI
(3)Std. InChI: InChI=1S/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9)
(4)Std. InChIKey: GVZXSZWCZGKLRS-UHFFFAOYSA-N