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78502-81-5

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Basic Information
CAS No.: 78502-81-5
Name: 5-BROMO-2-METHYL-4-PHENYL-1,3-THIAZOLE
Molecular Structure:
Molecular Structure of 78502-81-5 (5-BROMO-2-METHYL-4-PHENYL-1,3-THIAZOLE)
Formula: C10H8BrNS
Molecular Weight: 254.15
Synonyms: 5-BROMO-2-METHYL-4-PHENYL-1,3-THIAZOLE;5-Bromo-2-methyl-4-phenyl-1,3-thiazole 97%
Density: 1.496 g/cm3
Melting Point: 68-71 °C
Boiling Point: 331.5 °C at 760 mmHg
Flash Point: 154.3 °C
PSA: 41.13000
LogP: 3.88100
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Specification

The Thiazole,5-bromo-2-methyl-4-phenyl- is an organic compound with the formula C10H8BrNS. With the CAS registry number 78502-81-5, the systematic name of this chemical is 5-bromo-2-methyl-4-phenyl-1,3-thiazole.

Physical properties about Thiazole,5-bromo-2-methyl-4-phenyl- are: (1)ACD/LogP: 3.43; (2)ACD/LogD (pH 5.5): 3.43; (3)ACD/LogD (pH 7.4): 3.43; (4)ACD/BCF (pH 5.5): 237.42; (5)ACD/BCF (pH 7.4): 237.43; (6)ACD/KOC (pH 5.5): 1745.83; (7)ACD/KOC (pH 7.4): 1745.89; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 41.13 Å2; (11)Index of Refraction: 1.622; (12)Molar Refractivity: 59.83 cm3; (13)Molar Volume: 169.8 cm3; (14)Polarizability: 23.72×10-24cm3; (15)Surface Tension: 47.5 dyne/cm; (16)Density: 1.496 g/cm3; (17)Flash Point: 154.3 °C; (18)Enthalpy of Vaporization: 55.14 kJ/mol; (19)Boiling Point: 331.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0003 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-methyl-4-phenyl-thiazole. This reaction will need reagent N-bromosuccinimide, catalyst benzoylperoxide, azobisisobutyronitrile and solvent CCl4. The yield is about 85%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2sc(nc2c1ccccc1)C
(2)InChI: InChI=1/C10H8BrNS/c1-7-12-9(10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3
(3)InChIKey: YBIVQJKFCJWQSA-UHFFFAOYAM