2-Chloro-4-fluorobenzothiazole supplier

Name
2-Chloro-4-fluorobenzothiazole
EINECS
CAS No. 182344-56-5
Article Data4
CAS DataBase
Density 1.532 g/cm³
Solubility
Melting Point
Formula C₇H₃ClFNS
Boiling Point 253 °C at 760 mmHg
Molecular Weight 187.62
Flash Point 106.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-4-fluoro-1,3-benzothiazole;
PSA 41.13000
LogP 3.08880

2-Chloro-4-fluorobenzothiazole Specification

The 2-Chloro-4-fluorobenzothiazole with the cas number 182344-56-5 is also called Benzothiazole,2-chloro-4-fluoro-. The systematic name is 2-chloro-4-fluoro-1,3-benzothiazole. Its molecular formula is C₇H₃ClFNS. The product category is Benzothiazole.

The properties of the chemical are: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 3.47; (5)ACD/BCF (pH 5.5): 253.41; (6)ACD/BCF (pH 7.4): 253.41; (7)ACD/KOC (pH 5.5): 1829.23; (8)ACD/KOC (pH 7.4): 1829.23; (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: 1.665; (14)Molar Refractivity: 45.45 cm³; (15)Molar Volume: 122.4 cm³; (16)Polarizability: 18.02×10^-24cm³; (17)Surface Tension: 53.7 dyne/cm; (18)Enthalpy of Vaporization: 47.05 kJ/mol; (19)Vapour Pressure: 0.0299 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc2sc(Cl)nc12
(2)InChI: InChI=1/C7H3ClFNS/c8-7-10-6-4(9)2-1-3-5(6)11-7/h1-3H
(3)InChIKey: VCSYBEOXGIHVTR-UHFFFAOYAQ

Product Name

2-Chloro-4-fluorobenzothiazole

2-Chloro-4-fluorobenzothiazole Specification

Related Products

Hot Products