Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | Xi | |
Synonyms |
2-chloro-4,5,6,7-tetrahydro-1,3-benzothiazole; |
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