4-Pyrimidinecarboxamide, 2-chloro- supplier

Name
2-CHLOROPYRIMIDINE-4-CARBOXAMIDE
EINECS
CAS No. 22536-66-9
Article Data9
CAS DataBase
Density 1.478 g/cm³
Solubility
Melting Point
Formula C₅H₄ClN₃O
Boiling Point 454.7 °C at 760 mmHg
Molecular Weight 157.559
Flash Point 228.8 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 2-Chloropyrimidine-4-carboxylic acid amide;
PSA 68.87000
LogP 0.92920

4-Pyrimidinecarboxamide, 2-chloro- Specification

The 4-Pyrimidinecarboxamide, 2-chloro-, with the CAS registry number 22536-66-9, is also known as 2-Chloropyrimidine-4-carboxylic acid amide. It belongs to the product categories of Building Blocks; Pyrimidine. This chemical's molecular formula is C₅H₄ClN₃O and molecular weight is 157.5578. What's more, its IUPAC name is 2-Chloropyrimidine-4-carboxamide.

Physical properties about 4-Pyrimidinecarboxamide, 2-chloro- are: (1)ACD/LogP: -1.12; (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): 5.87; (6)ACD/KOC (pH 7.4): 5.87; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 46.09 Å²; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 36.26 cm³; (13)Molar Volume: 106.5 cm³; (14)Polarizability: 14.37×10^-24 cm³; (15)Surface Tension: 67.9 dyne/cm; (16)Density: 1.478 g/cm³; (17)Flash Point: 228.8 °C; (18)Enthalpy of Vaporization: 71.43 kJ/mol; (19)Boiling Point: 454.7 °C at 760 mmHg; (20)Vapour Pressure: 1.87E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1nc(Cl)ncc1)N
(2) InChI: InChI=1/C5H4ClN3O/c6-5-8-2-1-3(9-5)4(7)10/h1-2H,(H2,7,10)
(3) InChIKey: UXXQEVFRPLIOHJ-UHFFFAOYAS

Product Name

2-CHLOROPYRIMIDINE-4-CARBOXAMIDE

4-Pyrimidinecarboxamide, 2-chloro- Specification

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