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| CAS No.: | 147123-47-5 |
|---|---|
| Name: | 3-AMINOTHIOPHENE-2-CARBOXAMIDE |
| Article Data: | 4 |
| Molecular Structure: | |
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|
|
| Formula: | C5H6N2OS |
| Molecular Weight: | 142.181 |
| Synonyms: | 3-Aminothiophene-2-carboxamide; |
| EINECS: | -0 |
| Density: | 1.423 g/cm3 |
| Melting Point: | 120-124 °C(lit.) |
| Boiling Point: | 368.664 °C at 760 mmHg |
| Flash Point: | 176.762 °C |
| Appearance: | UN 2811 6.1/PG 3 |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-36-43 |
| Safety: | 26-37/39 |
| PSA: | 97.35000 |
| LogP: | 1.71070 |
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Specification
The 3-Aminothiophene-2-carboxamide with its cas register number is 147123-47-5. It also can be called as 2-Thiophenecarboxamide,3-amino- and the Systematic name about this chemical is 3-aminothiophene-2-carboxamide. It belongs to the following product categories, such as Amide, Thiophene&Benzothiophene, Heterocyclic Compounds, Building Blocks, Heterocyclic Building Blocks, Thiophenes and so on.
Physical properties about 3-Aminothiophene-2-carboxamide are: (1)ACD/LogP: 0.23; (2)ACD/LogD (pH 5.5): 0.23; (3)ACD/LogD (pH 7.4): 0.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 31.81; (7)ACD/KOC (pH 7.4): 31.85; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 51.79Å2; (12)Index of Refraction: 1.681; (13)Molar Refractivity: 37.8 cm3; (14)Molar Volume: 99.8 cm3; (15)Polarizability: 14.98x10-24cm3; (16)Surface Tension: 71.7 dyne/cm; (17)Enthalpy of Vaporization: 61.53 kJ/mol; (18)Vapour Pressure: 1.25E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 3-amino-thiophene-2-carboxylic acid methyl ester. This reaction will need reagent NH4Cl, satd aq. NH3. The reaction time is 70 day(s) with Ambient temperature. The yield is about 78%.
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Uses of 3-Aminothiophene-2-carboxamide: it can be used to produce 2-carbamoyl-3-cyclohexylideneaminothiophene with cyclohexanone. It will need reagent conc. HCl and solvent ethanol. The yield is about 86%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed and it is irritating to eyes, it may cause sensitization by skin contact. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)c1sccc1N
(2)InChI: InChI=1/C5H6N2OS/c6-3-1-2-9-4(3)5(7)8/h1-2H,6H2,(H2,7,8)
(3)InChIKey: BKDZTJNNXCNSCK-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C5H6N2OS/c6-3-1-2-9-4(3)5(7)8/h1-2H,6H2,(H2,7,8)
(5)Std. InChIKey: BKDZTJNNXCNSCK-UHFFFAOYSA-N