Benzothiazole,2-(4-chlorophenyl)- supplier

Name
2-(4-CHLOROPHENYL)BENZOTHIAZOLE
EINECS
CAS No. 6265-91-4
Article Data286
CAS DataBase
Density 1.339 g/cm³
Solubility
Melting Point 118 °C
Formula C₁₃H₈ClNS
Boiling Point 381.9 °C at 760 mmHg
Molecular Weight 245.732
Flash Point 184.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzothiazole,2-(p-chlorophenyl)- (6CI,8CI);2-(4-Chlorophenyl)benzothiazole;2-(4'-Chlorophenyl)benzothiazole;2-(p-Chlorophenyl)benzothiazole;NSC 33160;
PSA 41.13000
LogP 4.61670

Benzothiazole,2-(4-chlorophenyl)- Specification

The Benzothiazole,2-(4-chlorophenyl)- is an organic compound with the molecular formula C₁₃H₈ClNS. Its CAS registry number is 6265-91-4. The IUPAC name of this chemical is called 2-(4-Chlorophenyl)-1,3-benzothiazole. What's more, the molecular weight of this chemical is 245.73.

Physical properties about Benzothiazole,2-(4-chlorophenyl)- are: (1)ACD/LogP: 5.02; (2)#of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.02; (4)ACD/LogD (pH 7.4): 5.02; (5)ACD/BCF (pH 5.5): 3874.67; (6)ACD/BCF (pH 7.4): 3875.17; (7)ACD/KOC (pH 5.5): 12883.57; (8)ACD/KOC (pH 7.4): 12885.23; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å²; (13)Index of Refraction: 1.689; (14)Molar Refractivity: 70.05 cm³; (15)Molar Volume: 183.4 cm³; (16)Polarizability: 27.77×10^-24 cm³; (17)Surface Tension: 54.1 dyne/cm; (18)Density: 1.339 g/cm³; (19)Flash Point: 184.8 °C; (20)Enthalpy of Vaporization: 60.56 kJ/mol; (21)Boiling Point: 381.9 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc3ccc(c1nc2ccccc2s1)cc3
(2) InChI: InChI=1/C13H8ClNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
(3) InChIKey: GEYFXQNOTPBYPC-UHFFFAOYAK

Product Name

2-(4-CHLOROPHENYL)BENZOTHIAZOLE

Benzothiazole,2-(4-chlorophenyl)- Specification

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