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CAS No.: | 76371-66-9 |
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Name: | 3-BROMOTHIOPHENE-2-CARBOXAMIDE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C5H4BrNOS |
Molecular Weight: | 206.06 |
Synonyms: | 5-Bromothiophene-2-carboxamide;5-Bromothiophene-2-carboxylic acid amide;3-Bromothiophene-2-carboxamide; |
EINECS: | -0 |
Density: | 1.81 g/cm3 |
Melting Point: | 77-78°C |
Boiling Point: | 318 °C at 760 mmHg |
Flash Point: | 146.1 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-20/21/22 |
Safety: | 3/7-24/25-36/37-15 |
PSA: | 71.33000 |
LogP: | 2.30980 |
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The 3-Bromothiophene-2-carboxamide with the cas number 76371-66-9 is also called 2-Thiophenecarboxamide,5-bromo-. Its molecular formula is C5H4BrNOS. This chemical is irritant. While using this chemical, you should be very cautious.
The properties of the chemical are: (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (4)ACD/LogD (pH 7.4): 0.46; (5)ACD/BCF (pH 5.5): 1.32; (6)ACD/BCF (pH 7.4): 1.32; (7)ACD/KOC (pH 5.5): 42.39; (8)ACD/KOC (pH 7.4): 42.39; (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: 1.645; (14)Molar Refractivity: 41.25 cm3; (15)Molar Volume: 113.7 cm3; (16)Polarizability: 16.35×10-24cm3; (17)Surface Tension: 58.9 dyne/cm; (18)Enthalpy of Vaporization: 55.95 kJ/mol; (19)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