Isothiazole, 3-bromo- supplier

Name
Isothiazole, 3-bromo-
EINECS 200-258-5
CAS No. 55512-82-8
Density 1.857 g/cm³
Solubility
Melting Point
Formula C₃H₂BrNS
Boiling Point 85.581 °C at 760 mmHg
Molecular Weight 164.026
Flash Point 5.56 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromoisothiazole;3-bromo-1,2-thiazole;
PSA 41.13000
LogP 1.90560

Isothiazole, 3-bromo- Specification

The Isothiazole, 3-bromo-, with the CAS registry number 55512-82-8, has the systematic name of 3-bromoisothiazole. It is also called 3-bromo-1,2-thiazol. It is kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₃H₂BrNS.

The characteristics of Isothiazole, 3-bromo- are as followings: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.895; (4)ACD/LogD (pH 7.4): 1.895; (5)ACD/BCF (pH 5.5): 16.237; (6)ACD/BCF (pH 7.4): 16.237; (7)ACD/KOC (pH 5.5): 255.916; (8)ACD/KOC (pH 7.4): 255.916; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 30.419 cm³; (15)Molar Volume: 88.321 cm³; (16)olarizability: 12.059×10^-24cm³; (17)Surface Tension: 50.186 dyne/cm; (18)Density: 1.857 g/cm³; (19)Flash Point: 5.56 °C; (20)Enthalpy of Vaporization: 31.24 kJ/mol; (21)Boiling Point: 85.581 °C at 760 mmHg; (22)Vapour Pressure: 77.191 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1csnc1Br
(2)InChI: InChI=1/C3H2BrNS/c4-3-1-2-6-5-3/h1-2H
(3)InChIKey: OTNWEAKNUYQUKP-UHFFFAOYAX

Product Name

Isothiazole, 3-bromo-

Isothiazole, 3-bromo- Specification

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