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| CAS No.: | 3048-45-1 |
|---|---|
| Name: | Benzothiazole, 4-chloro- (7CI,8CI,9CI) |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C7H4ClNS |
| Molecular Weight: | 169.634 |
| Synonyms: | 4-Chlorobenzothiazole;4-chloro-1,3-benzothiazole;Benzothiazole, 4-chloro-; |
| Density: | 1.435 g/cm3 |
| Boiling Point: | 267.824 °C at 760 mmHg |
| Flash Point: | 115.776 °C |
| PSA: | 41.13000 |
| LogP: | 2.94970 |
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Specification
The Benzothiazole,4-chloro-, with the CAS registry number 3048-45-1, has the systematic name of 4-chloro-1,3-benzothiazole. It belongs to the product category of Benzothiazole. And the molecular formula of the chemical is C7H4ClNS.
The characteristics of Benzothiazole,4-chloro- are as followings: (1)ACD/LogP: 2.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 41.13 Å2; (7)Index of Refraction: 1.696; (8)Molar Refractivity: 45.466 cm3; (9)Molar Volume: 118.203 cm3; (10)olarizability: 18.024×10-24cm3; (11)Surface Tension: 56.648 dyne/cm; (12)Density: 1.435 g/cm3; (13)Flash Point: 115.776 °C; (14)Enthalpy of Vaporization: 48.549 kJ/mol; (15)Boiling Point: 267.824 °C at 760 mmHg; (16)Vapour Pressure: 0.013 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2cccc1scnc12
(2)InChI: InChI=1/C7H4ClNS/c8-5-2-1-3-6-7(5)9-4-10-6/h1-4H
(3)InChIKey: IFEPGHPDQJOYGG-UHFFFAOYAH