CAS No.347418-42-2,Pyrimidine, 4-chloro-5-fluoro- (9CI) Suppliers

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Basic Information

Molecular Structure:
CAS No.:	347418-42-2
Name:	Pyrimidine, 4-chloro-5-fluoro- (9CI)
Article Data:	3

Formula:	C₄H₂ClFN₂
Molecular Weight:	132.525
Synonyms:	4-Chloro-5-fluoropyrimidine; 4-Chloro-5-fluoro-1,3-diazine; 5-fluoro-4-chloropyrimidine; 4-Chloro-5-fluoro-pyrimidine; PYRIMIDINE,4-CHLORO-5-FLUORO;
Density:	1.44 g/cm³
Boiling Point:	181.1 °C at 760 mmHg
Flash Point:	63.3 °C
Hazard Symbols:	Xi
PSA:	25.78000
LogP:	1.26910

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Specification

The IUPAC name of 4-Chloro-5-fluoropyrimidine is 4-chloro-5-fluoro-pyrimidine. With CAS registry number of 347418-42-2, it is also named Pyrimidine, 4-chloro-5-fluoro-. The product's categories are Pyrimidine; Pyrimidine Series; Building Blocks. In addition, its molecular formula is C₄H₂ClFN₂ and molecular weight is 132.52.

The other characteristics of 4-Chloro-5-fluoropyrimidine can be summarized as: (1)ACD/LogP: 0.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): 0.88; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 25.78 Å²; (9)Index of Refraction: 1.505; (10)Molar Refractivity: 27.32 cm³; (11)Molar Volume: 92 cm³; (12)Polarizability: 10.83×10^-24cm³; (13)Surface Tension: 45.1 dyne/cm; (14)Enthalpy of Vaporization: 40.03 kJ/mol; (15)Vapour Pressure: 1.18 mmHg at 25 °C; (16)Density: 1.439 g/cm³; (17)Boiling Point: 181.1 °C at 760 mmHg; (18)Flash Point: 63.3 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ncncc1F;
(2)InChI: InChI=1/C4H2ClFN2/c5-4-3(6)1-7-2-8-4/h1-2H;
(3)InChIKey: APSSAJKZELMQNM-UHFFFAOYAG;
(4)Std. InChI: InChI=1S/C4H2ClFN2/c5-4-3(6)1-7-2-8-4/h1-2H;
(5)Std. InChIKey: APSSAJKZELMQNM-UHFFFAOYSA-N