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Name |
2-Thiophenecarboxylicacid, 5-bromo-4-methyl- |
EINECS | N/A |
CAS No. | 54796-53-1 | Density | 1.784 g/cm3 |
PSA | 65.54000 | LogP | 2.51720 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5BrO2S | Boiling Point | 322.448 °C at 760 mmHg |
Molecular Weight | 221.075 | Flash Point | 148.812 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Bromo-4-methylthiophene-2-carboxylicacid; |
Article Data | 8 |
The 2-Thiophenecarboxylicacid, 5-bromo-4-methyl-, with the CAS registry number 54796-53-1, is also known as EN001193. This chemical's molecular formula is C6H5BrO2S and molecular weight is 219.919363. Its IUPAC name is called 5-bromo-4-methylthiophene-2-carboxylic acid.
Physical properties of 2-Thiophenecarboxylicacid, 5-bromo-4-methyl-: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 27; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.63; (13)Molar Refractivity: 44.082 cm3; (14)Molar Volume: 123.902 cm3; (15)Surface Tension: 57.171 dyne/cm; (16)Density: 1.784 g/cm3; (17)Flash Point: 148.812 °C; (18)Enthalpy of Vaporization: 59.572 kJ/mol; (19)Boiling Point: 322.448 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(SC(=C1)C(=O)O)Br
(2)InChI: InChI=1S/C6H5BrO2S/c1-3-2-4(6(8)9)10-5(3)7/h2H,1H3,(H,8,9)
(3)InChIKey: HSHPZFSEXMTXSY-UHFFFAOYSA-N