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CAS No.: | 78031-18-2 |
---|---|
Name: | 3-BROMOTHIOPHENE-2-CARBOXAMIDE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C5H4BrNOS |
Molecular Weight: | 206.063 |
Synonyms: | 3-Bromo-2-thiophenecarboxamide; |
Density: | 1.81 g/cm3 |
Melting Point: | 77-78 °C |
Boiling Point: | 318 °C at 760 mmHg |
Flash Point: | 146.1 °C |
Solubility: | Insoluble in water. |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37 |
PSA: | 71.33000 |
LogP: | 2.30980 |
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The 2-Thiophenecarboxamide,3-bromo- is an organic compound with the formula C5H4BrNOS. The systematic name of this chemical is 3-Bromothiophene-2-carboxamide. With the CAS registry number 78031-18-2, it is also named as 3-Bromo-2-thiophenecarboxamide. Besides, its molecular weight is 206.06.
The physical properties of 2-Thiophenecarboxamide,3-bromo- are: (1)ACD/LogP: 0.46; (2)ACD/LogD (pH 5.5): 0.46; (3)ACD/LogD (pH 7.4): 0.46; (4)ACD/BCF (pH 5.5): 1.32; (5)ACD/BCF (pH 7.4): 1.32; (6)ACD/KOC (pH 5.5): 42.39; (7)ACD/KOC (pH 7.4): 42.39; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 48.55 Å2; (12)Index of Refraction: 1.645; (13)Molar Refractivity: 41.25 cm3; (14)Molar Volume: 113.7 cm3; (15)Polarizability: 16.35×10-24 cm3; (16)Surface Tension: 58.9 dyne/cm; (17)Density: 1.81 g/cm3; (18)Flash Point: 146.1 °C; (19)Enthalpy of Vaporization: 55.95 kJ/mol; (20)Boiling Point: 318 °C at 760 mmHg; (21)Vapour Pressure: 0.000371 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)c1sccc1Br
(2)InChI: InChI=1/C5H4BrNOS/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H2,7,8)
(3)InChIKey: KWXUWNXTRUZHNQ-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C5H4BrNOS/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H2,7,8)
(5)Std. InChIKey: KWXUWNXTRUZHNQ-UHFFFAOYSA-N