CAS No.131654-56-3,2-Bromomethylthiazole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	131654-56-3
Name:	2-Bromomethylthiazole
Article Data:	11

Formula:	C₄H₄BrNS
Molecular Weight:	178.052
Synonyms:	2-(Bromomethyl)-1,3-thiazole;2-(Bromomethyl)thiazole;
Density:	1.752 g/cm³
Boiling Point:	198.887 °C at 760 mmHg
Flash Point:	74.084 °C
Appearance:	Pale yellow clear liquid
PSA:	41.13000
LogP:	2.03800

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Specification

The Thiazole,2-(bromomethyl)-, with CAS registry number 131654-56-3, belongs to the following product category: Thiazoles. It has the systematic name of 2-(bromomethyl)-1,3-thiazole. Besides this, it is also called 2-Bromomethylthiazole. And the chemical formula of this chemical is C₄H₄BrNS.

Physical properties of Thiazole,2-(bromomethyl)-: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 227; (8)ACD/KOC (pH 7.4): 227; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 35.377 cm³; (15)Molar Volume: 101.629 cm³; (16)Polarizability: 14.024×10^-24cm³; (17)Surface Tension: 52.476 dyne/cm; (18)Density: 1.752 g/cm³; (19)Flash Point: 74.084 °C; (20)Enthalpy of Vaporization: 41.73 kJ/mol; (21)Boiling Point: 198.887 °C at 760 mmHg; (22)Vapour Pressure: 0.496 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1nccs1
(2)InChI: InChI=1/C4H4BrNS/c5-3-4-6-1-2-7-4/h1-2H,3H2
(3)InChIKey: VMJOGHYLJSXTDW-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C4H4BrNS/c5-3-4-6-1-2-7-4/h1-2H,3H2
(5)Std. InChIKey: VMJOGHYLJSXTDW-UHFFFAOYSA-N