Basic Information | Post buying leads | Suppliers |
Name |
2-Chloro-1,3-thiazole-4-carboxylic acid |
EINECS | N/A |
CAS No. | 5198-87-8 | Density | 1.693 g/cm3 |
PSA | 78.43000 | LogP | 1.49470 |
Solubility | N/A | Melting Point |
220 °C |
Formula | C4H2ClNO2S | Boiling Point | 370.208 °C at 760 mmHg |
Molecular Weight | 163.5822 | Flash Point | 177.696 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Thiazolecarboxylic acid, 2-chloro-; |
The 2-Chloro-1, 3-thiazole-4-carboxylic acid, with the CAS registry number 5198-87-8, is also known as 4-Thiazolecarboxylic acid, 2-chloro-. It belongs to the product categories of Organohalides; Thiazole. This chemical's molecular formula is C4H2ClNO2S and molecular weight is 163.5822. What's more, its IUPAC name is 2-Chloro-1, 3-thiazole-4-carboxylic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 2-Chloro-1, 3-thiazole-4-carboxylic acid are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 78.43 Å2; (11)Index of Refraction: 1.634; (12)Molar Refractivity: 34.554 cm3; (13)Molar Volume: 96.617 cm3; (14)Polarizability: 13.698×10-24 cm3; (15)Surface Tension: 73.171 dyne/cm; (16)Density: 1.693 g/cm3; (17)Flash Point: 177.696 °C; (18)Enthalpy of Vaporization: 65.102 kJ/mol; (19)Boiling Point: 370.208 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1csc(Cl)n1
(2) InChI: InChI=1/C4H2ClNO2S/c5-4-6-2(1-9-4)3(7)8/h1H,(H,7,8)
(3) InChIKey: UVYJJJQMZPCYKY-UHFFFAOYAF