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Name |
2-(Chloromethyl)-1,3-benzothiazole |
EINECS | 663-052-9 |
CAS No. | 37859-43-1 | Density | 1.371 g/cm3 |
PSA | 41.13000 | LogP | 3.03510 |
Solubility | N/A | Melting Point |
34℃ |
Formula | C8H6ClNS | Boiling Point | 274 °C at 760 mmHg |
Molecular Weight | 183.661 | Flash Point | 119.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37-39 | Risk Codes | 22-37/38-41-43 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-(Chloromethyl)benzothiazole;2-Chloromethyl-1,3-benzothiazole;NSC 201711; |
Article Data | 5 |
The Benzothiazole,2-(chloromethyl)-, with CAS registry number 37859-43-1, belongs to the following product category: Benzothiazole. It has the systematic name of 2-(chloromethyl)-1,3-benzothiazole. Besides this, it is also called Benzothiazole, 2-(chloromethyl)- (7CI,9CI). And the chemical formula of this chemical is C8H6ClNS.
Physical properties of Benzothiazole,2-(chloromethyl)-: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 41.13 Å2; (7)Index of Refraction: 1.675; (8)Molar Refractivity: 50.33 cm3; (9)Molar Volume: 133.9 cm3; (10)Polarizability: 19.95×10-24cm3; (11)Surface Tension: 54.3 dyne/cm; (12)Density: 1.371 g/cm3; (13)Flash Point: 119.5 °C; (14)Enthalpy of Vaporization: 49.17 kJ/mol; (15)Boiling Point: 274 °C at 760 mmHg; (16)Vapour Pressure: 0.0093 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1nc2ccccc2s1
(2)InChI: InChI=1/C8H6ClNS/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2
(3)InChIKey: SERUZNHRWBXDOX-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C8H6ClNS/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5H2
(5)Std. InChIKey: SERUZNHRWBXDOX-UHFFFAOYSA-N