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Name |
2,5-Dibromo-4-methylthiazole |
EINECS | N/A |
CAS No. | 79247-78-2 | Density | 2.127 g/cm3 |
PSA | 41.13000 | LogP | 2.97650 |
Solubility | N/A | Melting Point |
22 °C |
Formula | C4H3Br2NS | Boiling Point | 260.735 °C at 760 mmHg |
Molecular Weight | 256.94632 | Flash Point | 111.489 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-39-45 | Risk Codes | 25-41 |
Molecular Structure | Hazard Symbols | T | |
Synonyms |
2,5-Dibromo-4-methylthiazole; |
Article Data | 3 |
The Thiazole,2,5-dibromo-4-methyl-, with the CAS registry number of 79247-78-2, is also known as 2,5-Dibromo-4-methylthiazole. It belongs to the product categories of Thiazole; Building Blocks. Its molecular formula is C4H3Br2NS and molecular weight is 256.94632. What's more, its IUPAC name is 2,5-Dibromo-4-methyl-1,3-thiazole.
Physical properties about the Thiazole,2,5-dibromo-4-methyl- are: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 148; (6)ACD/BCF (pH 7.4): 148; (7)ACD/KOC (pH 5.5): 1247; (8)ACD/KOC (pH 7.4): 1247; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 42.934 cm3; (15)Molar Volume: 120.781 cm3; (16)Surface Tension: 51.283 dyne/cm; (17)Density: 2.127 g/cm3; (18)Flash Point: 111.489 °C; (19)Enthalpy of Vaporization: 47.832 kJ/mol; (20)Boiling Point: 260.735 °C at 760 mmHg; (21)Vapour Pressure: 0.02 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1sc(Br)nc1C
(2) InChI: InChI=1/C4H3Br2NS/c1-2-3(5)8-4(6)7-2/h1H3
(3) InChIKey: PVJMZIKWTNQXKO-UHFFFAOYAK