4-Pyrimidinamine, 2-chloro-N-(4-fluorophenyl)- supplier

Name
2-Chloro-N-(4-fluorophenyl)pyrimidin-4-amine
EINECS
CAS No. 260046-12-6
Article Data11
CAS DataBase
Density 1.415 g/cm³
Solubility
Melting Point
Formula C₁₀H₇ClFN₃
Boiling Point 398.587 °C at 760 mmHg
Molecular Weight 223.637
Flash Point 194.858 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2-Chloropyrimidin-4-yl)(4-fluorophenyl)amine;
PSA 37.81000
LogP 3.08570

4-Pyrimidinamine, 2-chloro-N-(4-fluorophenyl)- Specification

The 4-Pyrimidinamine, 2-chloro-N-(4-fluorophenyl)-, with the CAS registry number 260046-12-6, is also known as (2-Chloropyrimidin-4-yl)(4-fluorophenyl)amine. It belongs to the product categories of Pharmacetical; Halides; Pyrazines, Pyrimidines & Pyridazines. This chemical's molecular formula is C₁₀H₇ClFN₃ and molecular weight is 223.6341. What's more, its IUPAC name is 2-Chloro-N-(4-fluorophenyl)pyrimidin-4-amine.

Physical properties about 4-Pyrimidinamine, 2-chloro-N-(4-fluorophenyl)- are: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.433; (4)ACD/LogD (pH 7.4): 2.433; (5)ACD/BCF (pH 5.5): 41.586; (6)ACD/BCF (pH 7.4): 41.601; (7)ACD/KOC (pH 5.5): 501.658; (8)ACD/KOC (pH 7.4): 501.846; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.81 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 56.699 cm³; (15)Molar Volume: 158.082 cm³; (16)Polarizability: 22.477×10^-24 cm³; (17)Surface Tension: 55.722 dyne/cm; (18)Density: 1.415 g/cm³; (19)Flash Point: 194.858 °C; (20)Enthalpy of Vaporization: 64.919 kJ/mol; (21)Boiling Point: 398.587 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1Nc2ccnc(n2)Cl)F
(2) InChI: InChI=1/C10H7ClFN3/c11-10-13-6-5-9(15-10)14-8-3-1-7(12)2-4-8/h1-6H,(H,13,14,15)
(3) InChIKey: JAMUOHUGUQBGQA-UHFFFAOYAS

Product Name

2-Chloro-N-(4-fluorophenyl)pyrimidin-4-amine

4-Pyrimidinamine, 2-chloro-N-(4-fluorophenyl)- Specification

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