4-Chloro-5-fluoro-2-methylpyrimidine supplier

Name
4-CHLORO-5-FLUORO-2-METHYL-PYRIMIDINE
EINECS
CAS No. 898044-50-3
Article Data2
CAS DataBase
Density 1.352 g/cm³
Solubility
Melting Point
Formula C₅H₄ClFN₂
Boiling Point 176.9 °C at 760 mmHg
Molecular Weight 146.552
Flash Point 60.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Chloro-5-fluoro-2-methylpyrimidine;5-Fluoro-4-chloro-2-methylpyrimidine;
PSA 25.78000
LogP 1.57750

4-Chloro-5-fluoro-2-methylpyrimidine Specification

The 4-Chloro-5-fluoro-2-methylpyrimidine, with the CAS registry number 898044-50-3, is also called 5-Fluoro-4-chloro-2-methylpyrimidine. And the molecular formula of the chemical is C₅H₄ClFN₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 2.03; (6)ACD/BCF (pH 7.4): 2.03; (7)ACD/KOC (pH 5.5): 57.69; (8)ACD/KOC (pH 7.4): 57.69; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 32.14 cm³; (15)Molar Volume: 108.3 cm³; (16)Polarizability: 12.74×10^-24cm³; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.352 g/cm³; (19)Flash Point: 60.8 °C; (20)Enthalpy of Vaporization: 39.62 kJ/mol; (21)Boiling Point: 176.9 °C at 760 mmHg; (22)Vapour Pressure: 1.44 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cnc(nc1Cl)C
(2)InChI: InChI=1/C5H4ClFN2/c1-3-8-2-4(7)5(6)9-3/h2H,1H3
(3)InChIKey: QSFGQHQXDKLATK-UHFFFAOYAN

Product Name

4-CHLORO-5-FLUORO-2-METHYL-PYRIMIDINE

4-Chloro-5-fluoro-2-methylpyrimidine Specification

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