2-Chloropyrimidine-4-carboxylic acid supplier

Name
1-(5-TRIFLUOROMETHYL-[1,3,4]THIADIAZOL-2-YL)-PIPERAZINE
EINECS
CAS No. 149849-92-3
Article Data4
CAS DataBase
Density 1.58 g/cm³
Solubility
Melting Point
Formula C₅H₃ClN₂O₂
Boiling Point 411.407 °C at 760 mmHg
Molecular Weight 158.544
Flash Point 202.612 °C
Transport Information
Appearance
Safety 22-26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Acide 2-chloropyrimidine-4-carboxylique;
PSA 63.08000
LogP 0.82820

2-Chloropyrimidine-4-carboxylic acid Specification

The 2-Chloropyrimidine-4-carboxylic acid, with the CAS registry number 149849-92-3, is also known as 4-Pyrimidinecarboxylic acid, 2-chloro-. It belongs to the product categories of Pharmacetical; Pyrimidine; Building Blocks. This chemical's molecular formula is C₅H₃ClN₂O₂ and molecular weight is 158.54. What's more, its IUPAC name is the same with its product name.

Physical properties about 2-Chloropyrimidine-4-carboxylic acid are: (1)ACD/LogP: 0.48; (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: 4 ; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 63.08 Å²; (11)Index of Refraction: 1.598; (12)Molar Refractivity: 34.26 cm³; (13)Molar Volume: 100.361 cm³; (14)Surface Tension: 73.208 dyne/cm; (15)Density: 1.58 g/cm³; (16)Flash Point: 202.612 °C; (17)Enthalpy of Vaporization: 69.999 kJ/mol; (18)Boiling Point: 411.407 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cnc(nc1C(=O)O)Cl
(2) InChI: InChI=1S/C5H3ClN2O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)
(3) InChIKey: YMDSUQSBJRDYLI-UHFFFAOYSA-N

Product Name

1-(5-TRIFLUOROMETHYL-[1,3,4]THIADIAZOL-2-YL)-PIPERAZINE

2-Chloropyrimidine-4-carboxylic acid Specification

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