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Benzothiazole,4-chloro-

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Name

Benzothiazole,4-chloro-

EINECS N/A
CAS No. 3048-45-1 Density 1.435 g/cm3
PSA 41.13000 LogP 2.94970
Solubility N/A Melting Point N/A
Formula C7H4ClNS Boiling Point 267.824 °C at 760 mmHg
Molecular Weight 169.634 Flash Point 115.776 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3048-45-1 (Benzothiazole, 4-chloro- (7CI,8CI,9CI)) Hazard Symbols N/A
Synonyms

4-Chlorobenzothiazole;4-chloro-1,3-benzothiazole;Benzothiazole, 4-chloro-;

Article Data 8

Benzothiazole,4-chloro- 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

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