Product Name

  • Name

    4-(4-Chloro-phenyl)-thiazol-2-ol

  • EINECS
  • CAS No. 2103-98-2
  • Article Data9
  • CAS DataBase
  • Density 1.428 g/cm3
  • Solubility
  • Melting Point 222-226 °C
  • Formula C9H6ClNOS
  • Boiling Point 410.2 °C at 760 mmHg
  • Molecular Weight 211.672
  • Flash Point 201.9 °C
  • Transport Information
  • Appearance
  • Safety 26-36/37/39
  • Risk Codes 22-37/38-41
  • Molecular Structure Molecular Structure of 2103-98-2 (4-(4-Chloro-phenyl)-thiazol-2-ol)
  • Hazard Symbols HarmfulXn
  • Synonyms 2-Thiazolol,4-(p-chlorophenyl)- (7CI,8CI);4-Thiazolin-2-one, 4-(p-chlorophenyl)- (6CI);4-(4-Chlorophenyl)-2(3H)-thiazolone;NSC 55674;
  • PSA 61.10000
  • LogP 2.75680

2(3H)-Thiazolone,4-(4-chlorophenyl)- 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

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