Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 4,5-dibromothiophene-2-carboxylate |
EINECS | N/A |
CAS No. | 62224-24-2 | Density | 2.01 g/cm3 |
PSA | 54.54000 | LogP | 3.05970 |
Solubility | N/A | Melting Point |
80-82 °C |
Formula | C6H4Br2O2S | Boiling Point | 305.1 °C at 760 mmHg |
Molecular Weight | 299.971 | Flash Point | 138.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 4,5-dibromothiophene-2-carboxylate;4,5-Dibromo-thiophene-2-carboxylic acid methyl ester; |
Article Data | 8 |
The 2-Thiophenecarboxylic acid, 4,5-dibromo-, methyl ester, with the CAS registry number 62224-24-2, is also known as 4,5-Dibromo-thiophene-2-carboxylic acid methyl ester. This chemical's molecular formula is C6H4Br2O2S and molecular weight is 299.97. What's more, its systematic name is methyl 4,5-dibromothiophene-2-carboxylate.
Physical properties of 2-Thiophenecarboxylic acid, 4,5-dibromo-, methyl ester are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.06; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 124.64; (6)ACD/BCF (pH 7.4): 124.64; (7)ACD/KOC (pH 5.5): 1100.72; (8)ACD/KOC (pH 7.4): 1100.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 51.79 cm3; (15)Molar Volume: 149.1 cm3; (16)Polarizability: 20.53×10-24cm3; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 2.01 g/cm3; (19)Flash Point: 138.3 °C; (20)Enthalpy of Vaporization: 54.55 kJ/mol; (21)Boiling Point: 305.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00084 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=CC(=C(S1)Br)Br
(2)InChI: InChI=1S/C6H4Br2O2S/c1-10-6(9)4-2-3(7)5(8)11-4/h2H,1H3
(3)InChIKey: URPMSPAEAVFKCO-UHFFFAOYSA-N