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| CAS No.: | 121071-71-4 |
|---|---|
| Name: | Dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride |
| Molecular Structure: | |
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| Formula: | C8H9NO4S.HCl |
| Molecular Weight: | 251.691 |
| Synonyms: | 2,3-Thiophenedicarboxylicacid, 4-amino-, dimethyl ester, hydrochloride (9CI);4-Aminothiophene-2,3-dicarboxylic acid dimethyl ester hydrochloride;Dimethyl4-aminothiophene-2,3-dicarboxylate hydrochloride; |
| Density: | 1.371g/cm3 |
| Melting Point: | 166-169 °C |
| Boiling Point: | 350.5 °C at 760 mmHg |
| Flash Point: | 165.8 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 106.86000 |
| LogP: | 2.28670 |
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Specification
The cas register number of Dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride is 121071-71-4. It also can be called as 4-Aminothiophene-2,3-dicarboxylic acid dimethyl ester hydrochloride and the Systematic name about this chemical is dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride.
Physical properties about Dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride are: (1)ACD/LogP: 1.15; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 84.08 Å2; (6)Flash Point: 165.8 °C; (7)Enthalpy of Vaporization: 59.51 kJ/mol; (8)Boiling Point: 350.5 °C at 760 mmHg; (9)Vapour Pressure: 4.37E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 4-amino-thiophene-2,3-dicarboxylic acid dimethyl ester; hydrochloride. This reaction will need reagent MH2OH*HCl and solvent methanol. The reaction time is 1 hour(s) at Heating. The yield is about 52%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, 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(OC)c1c(scc1N)C(=O)OC.Cl
(2)InChI: InChI=1/C8H9NO4S.ClH/c1-12-7(10)5-4(9)3-14-6(5)8(11)13-2;/h3H,9H2,1-2H3;1H
(3)InChIKey: RETIFGMAGNDLAN-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C8H9NO4S.ClH/c1-12-7(10)5-4(9)3-14-6(5)8(11)13-2;/h3H,9H2,1-2H3;1H
(5)Std. InChIKey: RETIFGMAGNDLAN-UHFFFAOYSA-N