CAS No.78031-18-2,3-BROMOTHIOPHENE-2-CARBOXAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	78031-18-2
Name:	3-BROMOTHIOPHENE-2-CARBOXAMIDE
Article Data:	3

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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Specification

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