Name: Pyrimidine, 2-chloro-5-fluoro-4-methyl- (9CI)
SKU: 134000-96-7

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Basic Information

Molecular Structure:
CAS No.:	134000-96-7
Name:	Pyrimidine, 2-chloro-5-fluoro-4-methyl- (9CI)
Article Data:	10

Formula:	C₅H₄ClFN₂
Molecular Weight:	146.552
Synonyms:	Pyrimidine, 2-chloro-5-fluoro-4-methyl-;Pyrimidine, 2-chloro-5-fluoro-4-methyl- (9CI);
Density:	1.353 g/cm³
Boiling Point:	219.492 °C at 760 mmHg
Flash Point:	86.546 °C
PSA:	25.78000
LogP:	1.57750

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Specification

2-Chloro-5-fluoro-4-methylpyrimidine is an organic compound with the formula C₅H₄ClFN₂, and its systematic name is the same with the product name. With the CAS registry number 134000-96-7, it is also named as Pyrimidine, 2-chloro-5-fluoro-4-methyl-. It belongs to the product category of Pyrimidine. In addition, the molecular weight is 146.55.

Physical properties of 2-Chloro-5-fluoro-4-methylpyrimidine are: (1)ACD/LogP: 1.099; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.10; (4)ACD/LogD (pH 7.4): 1.10; (5)ACD/BCF (pH 5.5): 4.03; (6)ACD/BCF (pH 7.4): 4.03; (7)ACD/KOC (pH 5.5): 94.35; (8)ACD/KOC (pH 7.4): 94.35; (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: 32.149 cm³; (15)Molar Volume: 108.317 cm³; (16)Polarizability: 12.745×10^-24cm³; (17)Surface Tension: 42.28 dyne/cm; (18)Density: 1.353 g/cm³; (19)Flash Point: 86.546 °C; (20)Enthalpy of Vaporization: 43.734 kJ/mol; (21)Boiling Point: 219.492 °C at 760 mmHg; (22)Vapour Pressure: 0.176 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cnc(Cl)nc1C
(2)Std. InChI: InChI=1S/C5H4ClFN2/c1-3-4(7)2-8-5(6)9-3/h2H,1H3
(3)Std. InChIKey: ITAJKPNAPXHDDZ-UHFFFAOYSA-N