CAS No.39205-62-4,4-Choro-2(3H)-benzothiazolone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39205-62-4
Name:	4-Choro-2(3H)-benzothiazolone
Article Data:	9

Formula:	C₇H₄ClNOS
Molecular Weight:	185.634
Synonyms:	2-Benzothiazolol,4-chloro- (7CI);4-Chloro-2-benzothiazolinone;4-Chloro-2-hydroxybenzothiazole;4-Chloro-2-oxobenzothiazoline;
EINECS:	254-354-8
Density:	1.516 g/cm³
Melting Point:	204-205 °C
Boiling Point:	394.2 °C at 760 mmHg
Flash Point:	192.2 °C
PSA:	61.10000
LogP:	2.24300

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Specification

The 2(3H)-Benzothiazolone,4-chloro-, with CAS registry number 39205-62-4, belongs to the following product categories: (1)Benzothiazole; (2)API intermediates. It has the systematic name of 4-chloro-1,3-benzothiazol-2(3H)-one. And the chemical formula of this chemical is C₇H₄ClNOS. What's more, its EINECS is 254-354-8.

Physical properties of 2(3H)-Benzothiazolone,4-chloro-: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 31.17; (6)ACD/BCF (pH 7.4): 30.83; (7)ACD/KOC (pH 5.5): 408.1; (8)ACD/KOC (pH 7.4): 403.72; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 45.61 Å²; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 45.73 cm³; (15)Molar Volume: 122.4 cm³; (16)Polarizability: 18.13×10^-24cm³; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.515 g/cm³; (19)Flash Point: 192.2 °C; (20)Enthalpy of Vaporization: 66.94 kJ/mol; (21)Boiling Point: 394.2 °C at 760 mmHg; (22)Vapour Pressure: 8.85E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cccc1SC(=O)Nc12
(2)InChI: InChI=1/C7H4ClNOS/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10)
(3)InChIKey: MBFOZAKOORJAMK-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H4ClNOS/c8-4-2-1-3-5-6(4)9-7(10)11-5/h1-3H,(H,9,10)
(5)Std. InChIKey: MBFOZAKOORJAMK-UHFFFAOYSA-N