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CAS No.: | 66047-74-3 |
---|---|
Name: | 4-(4-BROMOPHENYL)-2-METHYL-1,3-THIAZOLE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C10H8BrNS |
Molecular Weight: | 254.15 |
Synonyms: | Thiazole,4-(p-bromophenyl)-2-methyl- (6CI);4-(4-Bromophenyl)-2-methyl-1,3-thiazole;4-(4-Bromophenyl)-2-methylthiazole; |
Density: | 1.496 g/cm3 |
Melting Point: | 130 °C |
Boiling Point: | 345 °C at 760 mmHg |
Flash Point: | 162.5 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 41.13000 |
LogP: | 3.88100 |
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The Thiazole,4-(4-bromophenyl)-2-methyl-, with the CAS registry number 66047-74-3, is also known as 4-(4-Bromophenyl)-2-methyl-1,3-thiazole 97%. This chemical's molecular formula is C10H8BrNS and molecular weight is 254.15. Its IUPAC name is called 4-(4-bromophenyl)-2-methyl-1,3-thiazole.
Physical properties of Thiazole,4-(4-bromophenyl)-2-methyl-: (1)ACD/LogP: 3.76; (2)ACD/LogD (pH 5.5): 3.76; (3)ACD/LogD (pH 7.4): 3.76; (4)ACD/BCF (pH 5.5): 426.21; (5)ACD/BCF (pH 7.4): 426.68; (6)ACD/KOC (pH 5.5): 2653.07; (7)ACD/KOC (pH 7.4): 2656; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.622; (11)Molar Refractivity: 59.83 cm3; (12)Molar Volume: 169.8 cm3; (13)Surface Tension: 47.5 dyne/cm; (14)Density: 1.496 g/cm3; (15)Flash Point: 162.5 °C; (16)Enthalpy of Vaporization: 56.57 kJ/mol; (17)Boiling Point: 345 °C at 760 mmHg; (18)Vapour Pressure: 0.000126 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)Br
(2)InChI: InChI=1S/C10H8BrNS/c1-7-12-10(6-13-7)8-2-4-9(11)5-3-8/h2-6H,1H3
(3)InChIKey: OHDZDHHETRGNRY-UHFFFAOYSA-N