Benzothiazole,4-chloro- supplier

Name
Benzothiazole, 4-chloro- (7CI,8CI,9CI)
EINECS
CAS No. 3048-45-1
Article Data8
CAS DataBase
Density 1.435 g/cm³
Solubility
Melting Point
Formula C₇H₄ClNS
Boiling Point 267.824 °C at 760 mmHg
Molecular Weight 169.634
Flash Point 115.776 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chlorobenzothiazole;4-chloro-1,3-benzothiazole;Benzothiazole, 4-chloro-;
PSA 41.13000
LogP 2.94970

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

Product Name

Benzothiazole, 4-chloro- (7CI,8CI,9CI)

Benzothiazole,4-chloro- Specification

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