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Benzothiazole,2-chloro-4,5,6,7-tetrahydro-

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Name

Benzothiazole,2-chloro-4,5,6,7-tetrahydro-

EINECS N/A
CAS No. 26846-98-0 Density 1.326 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C7H8ClNS Boiling Point 292.463 °C at 760 mmHg
Molecular Weight 173.666 Flash Point 130.677 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 26846-98-0 (2-CHLORO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOLE) Hazard Symbols IrritantXi
Synonyms

2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazole;

 

Benzothiazole,2-chloro-4,5,6,7-tetrahydro- Specification

The Benzothiazole,2-chloro-4,5,6,7-tetrahydro-, with the CAS registry number 26846-98-0, has the systamtic name of 2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazole. It is a kind of organics, and should be stored in the dry and cool enviroment. And the molecular formula of the chemical is C7H8ClNS.

The characteristics of Benzothiazole,2-chloro-4,5,6,7-tetrahydro- are as followings: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 64; (6)ACD/BCF (pH 7.4): 64; (7)ACD/KOC (pH 5.5): 679; (8)ACD/KOC (pH 7.4): 680; (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: 1.594; (14)Molar Refractivity: 44.41 cm3; (15)Molar Volume: 130.917 cm3; (16)Polarizability: 17.605×10-24cm3; (17)Surface Tension: 49.19 dyne/cm; (18)Density: 1.326 g/cm3; (19)Flash Point: 130.677 °C; (20)Enthalpy of Vaporization: 51.065 kJ/mol; (21)Boiling Point: 292.463 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1nc2c(s1)CCCC2
(2)InChI: InChI=1/C7H8ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H2
(3)InChIKey: LDJUCUDNAZQFIZ-UHFFFAOYAF

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