5-Bromo-3-methyl-isothiazole supplier

Name
5-Bromo-3-methyl-isothiazole
EINECS
CAS No. 20493-60-1
Density 1.702 g/cm³
Solubility
Melting Point
Formula C₄H₄BrNS
Boiling Point 109.6 °C at 760 mmHg
Molecular Weight 178.052
Flash Point 20.1 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms isothiazole, 5-bromo-3-methyl-;5-Bromo-3-methylisothiazole;
PSA 41.13000
LogP 2.21400

5-Bromo-3-methyl-isothiazole Specification

The CAS register number of 5-Bromo-3-methyl-isothiazole is 20493-60-1. It also can be called as isothiazole, 5-bromo-3-methyl- and the systematic name about this chemical is 5-bromo-3-methyl-1,2-thiazole. The molecular formula about this chemical is C₄H₄BrNS and the molecular weight is 178.05.

Physical properties about 5-Bromo-3-methyl-isothiazole are: (1)ACD/LogP: 2.04; (2)ACD/LogD (pH 5.5): 2.04; (3)ACD/LogD (pH 7.4): 2.04; (4)ACD/BCF (pH 5.5): 20.87; (5)ACD/BCF (pH 7.4): 20.95; (6)ACD/KOC (pH 5.5): 305.98; (7)ACD/KOC (pH 7.4): 307.08; (8)#H bond acceptors: 1; (9)Polar Surface Area: 41.13Å²; (10)Index of Refraction: 1.588; (11)Molar Refractivity: 35.24 cm³; (12)Molar Volume: 104.5 cm³; (13)Polarizability: 13.97x10^-24cm³; (14)Surface Tension: 46.2 dyne/cm; (15)Flash Point: 20.1 °C; (16)Enthalpy of Vaporization: 33.39 kJ/mol; (17)Boiling Point: 109.6 °C at 760 mmHg; (18)Vapour Pressure: 28.9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1snc(c1)C
(2)InChI: InChI=1/C4H4BrNS/c1-3-2-4(5)7-6-3/h2H,1H3
(3)InChIKey: XSVSPKKXQGNHMD-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C4H4BrNS/c1-3-2-4(5)7-6-3/h2H,1H3
(5)Std. InChIKey: XSVSPKKXQGNHMD-UHFFFAOYSA-N

Product Name

5-Bromo-3-methyl-isothiazole

5-Bromo-3-methyl-isothiazole Specification

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