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| CAS No.: | 76655-99-7 |
|---|---|
| Name: | 3-METHYLTHIOPHENE-2-CARBOXAMIDE |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C6H7NOS |
| Molecular Weight: | 141.19 |
| Synonyms: | 3-Methyl-2-thiophenecarboxamide; |
| EINECS: | -0 |
| Density: | 1.239 g/cm3 |
| Melting Point: | 122-124°C |
| Boiling Point: | 269.3 °C at 760 mmHg |
| Flash Point: | 116.7 °C |
| Hazard Symbols: | R22:Harmful if swallowed.; |
| Risk Codes: | 22 |
| Safety: | 22-36/37 |
| PSA: | 71.33000 |
| LogP: | 1.85570 |
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- Total:30 Page 1 of 1 1
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Specification
The 3-Methylthiophene-2-carboxamide, with CAS registry number 76655-99-7, belongs to the following product category: Amide. It has the systematic name of 3-methylthiophene-2-carboxamide. This chemical should be stored in cool, dry place in tightly closed containers. And you should make sure keep this chemical away from oxide.
Physical properties of 3-Methylthiophene-2-carboxamide: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 3.26; (6)ACD/BCF (pH 7.4): 3.26; (7)ACD/KOC (pH 5.5): 81.17; (8)ACD/KOC (pH 7.4): 81.17; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 48.55 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 38.39 cm3; (15)Molar Volume: 113.8 cm3; (16)Polarizability: 15.21×10-24cm3; (17)Surface Tension: 49.7 dyne/cm; (18)Enthalpy of Vaporization: 50.74 kJ/mol; (19)Vapour Pressure: 0.00731 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 3-Methylthiophene-2-carboxamide is harmful if swallowed. When use it, wear suitable protective clothing and gloves and do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)c1sccc1C
(2)InChI: InChI=1/C6H7NOS/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H2,7,8)
(3)InChIKey: QZDTWJRYMXQXBX-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H7NOS/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H2,7,8)
(5)Std. InChIKey: QZDTWJRYMXQXBX-UHFFFAOYSA-N