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2103-98-2

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Basic Information
CAS No.: 2103-98-2
Name: 4-(4-Chloro-phenyl)-thiazol-2-ol
Article Data: 9
Molecular Structure:
Molecular Structure of 2103-98-2 (4-(4-Chloro-phenyl)-thiazol-2-ol)
Formula: C9H6ClNOS
Molecular Weight: 211.672
Synonyms: 2-Thiazolol,4-(p-chlorophenyl)- (7CI,8CI);4-Thiazolin-2-one, 4-(p-chlorophenyl)- (6CI);4-(4-Chlorophenyl)-2(3H)-thiazolone;NSC 55674;
Density: 1.428 g/cm3
Melting Point: 222-226 °C
Boiling Point: 410.2 °C at 760 mmHg
Flash Point: 201.9 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22-37/38-41
Safety: 26-36/37/39
PSA: 61.10000
LogP: 2.75680
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Specification

This chemical is called 2(3H)-Thiazolone,4-(4-chlorophenyl)-, and its systematic name is 4-(4-chlorophenyl)-1,3-thiazol-2(3H)-one. With the molecular formula of C9H6ClNOS, its molecular weight is 211.67. The CAS registry number of the chemical is 2103-98-2. 

Other characteristics of 2(3H)-Thiazolone,4-(4-chlorophenyl)- can be summarised as followings: (1)ACD/LogP: 3.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 161.57; (6)ACD/BCF (pH 7.4): 150.62; (7)ACD/KOC (pH 5.5): 1325.08; (8)ACD/KOC (pH 7.4): 1235.22; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.61 Å2; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 54.41 cm3; (15)Molar Volume: 148.1 cm3; (16)Polarizability: 21.57×10-24cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.428 g/cm3; (19)Flash Point: 201.9 °C; (20)Enthalpy of Vaporization: 68.83 kJ/mol; (21)Boiling Point: 410.2 °C at 760 mmHg; (22)Vapour Pressure: 2.58E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical has risk of serious damage to the eyes, respiratory system and skin. Wear suitable protective clothing, gloves and eye/face protection when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2S\C=C(\c1ccc(Cl)cc1)N2
2.InChI: InChI=1/C9H6ClNOS/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
3.InChIKey: XODFWCAVOQHJFC-UHFFFAOYAQ
4.Std. InChI: InChI=1S/C9H6ClNOS/c10-7-3-1-6(2-4-7)8-5-13-9(12)11-8/h1-5H,(H,11,12)
5.Std. InChIKey: XODFWCAVOQHJFC-UHFFFAOYSA-N