Name: 2-(4-METHYLPHENYL)-BENZOTHIAZOLE
SKU: 16112-21-3

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Basic Information

Molecular Structure:
CAS No.:	16112-21-3
Name:	2-(4-METHYLPHENYL)-BENZOTHIAZOLE
Article Data:	291

Formula:	C₁₄H₁₁NS
Molecular Weight:	225.314
Synonyms:	Benzothiazole,2-p-tolyl- (6CI,8CI);2-(4-Methylphenyl)benzothiazole;2-p-Tolylbenzothiazole;
Density:	1.199 g/cm³
Boiling Point:	367.5 °C at 760 mmHg
Flash Point:	178.5 °C
PSA:	41.13000
LogP:	4.27170

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Specification

The Benzothiazole,2-(4-methylphenyl)- is an organic compound with the formula C₁₄H₁₁NS. The systematic name of this chemical is 2-(4-Methylphenyl)-1,3-benzothiazole. With the CAS registry number 16112-21-3, it is also named as 2-(4-Methylphenyl)benzothiazole. The product's category is Benzothiazole. Besides, its molecular weight is 225.31.

Physical properties about Benzothiazole,2-(4-methylphenyl)- are: (1)ACD/LogP: 4.72; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 41.13 Å²; (5)Index of Refraction: 1.667; (6)Molar Refractivity: 69.98 cm³; (7)Molar Volume: 187.8 cm³; (8)Polarizability: 27.74×10^-24 cm³; (9)Surface Tension: 49.9 dyne/cm; (10)Density: 1.199 g/cm³; (11)Flash Point: 178.5 °C; (12)Enthalpy of Vaporization: 58.99 kJ/mol; (13)Boiling Point: 367.5 °C at 760 mmHg; (14)Vapour Pressure: 2.87E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by 4-Methyl-benzoyl chloride. This reaction will need reagent 1-Methyl-2-pyrrolidinone. The reaction time is 1 hour with reaction temperature of 100 °C. The yield is about 75%.

Uses of Benzothiazole,2-(4-methylphenyl)-: it can be used to produce 2-(4-Bromomethyl-phenyl)-benzothiazole. It will need reagents N-bromosuccinimide; benzoyl peroxide and solvent CCl₄ with reaction time of 12 hours. The yield is about 67.4%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C14H11NS/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3
(2)InChIKey: JVPGYYNQTPWXGE-UHFFFAOYAO
(3)Std. InChI: InChI=1S/C14H11NS/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3
(4)Std. InChIKey: JVPGYYNQTPWXGE-UHFFFAOYSA-N