2-Chloro-6-cyanobenzothiazole supplier

Name
2-Chloro-6-cyanobenzothiazole
EINECS
CAS No. 80945-83-1
Article Data5
CAS DataBase
Density 1.51 g/cm³
Solubility
Melting Point
Formula C₈H₃ClN₂S
Boiling Point 336.594 °C at 760 mmHg
Molecular Weight 194.644
Flash Point 157.367 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Chloro-1,3-benzothiazole-6-carbonitrile;2-Chloro-6-cyanobenzothiazole;
PSA 64.92000
LogP 2.82138

2-Chloro-6-cyanobenzothiazole Specification

The 2-Chloro-6-cyanobenzothiazole, with the CAS registry number 80945-83-1, is also known as 6-Benzothiazolecarbonitrile, 2-chloro-. It belongs to the product category of Benzothiazole. This chemical's molecular formula is C₈H₃ClN₂S and molecular weight is 194.64. Its IUPAC name is called 2-chloro-1,3-benzothiazole-6-carbonitrile.

Physical properties of 2-Chloro-6-cyanobenzothiazole: (1)ACD/LogP: 2.11; (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): 24; (6)ACD/BCF (pH 7.4): 24; (7)ACD/KOC (pH 5.5): 336; (8)ACD/KOC (pH 7.4): 336; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.7; (13)Molar Refractivity: 49.645 cm³; (14)Molar Volume: 128.412 cm³; (15)Surface Tension: 73.1 dyne/cm; (16)Density: 1.516 g/cm³; (17)Flash Point: 157.367 °C; (18)Enthalpy of Vaporization: 57.976 kJ/mol; (19)Boiling Point: 336.594 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2c(cc1C#N)sc(n2)Cl
(2)InChI: InChI=1/C8H3ClN2S/c9-8-11-6-2-1-5(4-10)3-7(6)12-8/h1-3H
(3)InChIKey: DHBTVASVKVLZBJ-UHFFFAOYAI

Product Name

2-Chloro-6-cyanobenzothiazole

2-Chloro-6-cyanobenzothiazole Specification

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