CAS No.31575-35-6,2-FLUOROPYRIMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	31575-35-6
Name:	2-FLUOROPYRIMIDINE
Article Data:	9

Formula:	C₄H₃FN₂
Molecular Weight:	98.0796
Synonyms:	2-Fluoropyrimidine;2-fluoropyrimidine;
Density:	1.225 g/cm³
Melting Point:	17-18 °C(Solv: cyclohexane (110-82-7))
Boiling Point:	197.031 °C at 760 mmHg
Flash Point:	72.962 °C
PSA:	25.78000
LogP:	0.61570

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Specification

The Pyrimidine, 2-fluoro-, with the CAS registry number 31575-35-6, has the systematic name and IUPAC name of 2-fluoropyrimidine. It belongs to the product category of Pyrimidine, and the molecular formula of the chemical is C₄H₃FN₂.

The characteristics of Pyrimidine, 2-fluoro- are as followings: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.428; (8)ACD/KOC (pH 7.4): 24.428; (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: 1.472; (14)Molar Refractivity: 22.429 cm³; (15)Molar Volume: 80.091 cm³; (16)Polarizability: 8.892×10^-24cm³; (17)Surface Tension: 41.025 dyne/cm; (18)Density: 1.225 g/cm³; (19)Flash Point: 72.962 °C; (20)Enthalpy of Vaporization: 41.551 kJ/mol; (21)Boiling Point: 197.031 °C at 760 mmHg; (22)Vapour Pressure: 0.544 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1cnc(nc1)F
(2)InChI: InChI=1/C4H3FN2/c5-4-6-2-1-3-7-4/h1-3H
(3)InChIKey: WAVYAFBQOXCGSZ-UHFFFAOYAA