Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Bromothiophene-2-carboxamide |
EINECS | -0 |
CAS No. | 76371-66-9 | Density | 1.81 g/cm3 |
PSA | 71.33000 | LogP | 2.30980 |
Solubility | N/A | Melting Point |
77-78°C |
Formula | C5H4BrNOS | Boiling Point | 318 °C at 760 mmHg |
Molecular Weight | 206.06 | Flash Point | 146.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 3/7-24/25-36/37-15 | Risk Codes | 22-20/21/22 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
5-Bromothiophene-2-carboxamide;5-Bromothiophene-2-carboxylic acid amide;3-Bromothiophene-2-carboxamide; |
Article Data | 8 |
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