CAS No.37859-43-1,2-(Chloromethyl)-1,3-benzothiazole Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	37859-43-1
Name:	2-(Chloromethyl)-1,3-benzothiazole
Article Data:	5

Formula:	C₈H₆ClNS
Molecular Weight:	183.661
Synonyms:	2-(Chloromethyl)benzothiazole;2-Chloromethyl-1,3-benzothiazole;NSC 201711;
EINECS:	663-052-9
Density:	1.371 g/cm³
Melting Point:	34℃
Boiling Point:	274 °C at 760 mmHg
Flash Point:	119.5 °C
Hazard Symbols:	Xi
Risk Codes:	22-37/38-41-43
Safety:	26-36/37-39
PSA:	41.13000
LogP:	3.03510

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Specification

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