4-Pyrimidinamine,2-chloro-5-fluoro- (155-10-2)

The 2-chloro-5-fluoropyrimidin-4-amine, with the CAS registry number 155-10-2, belongs to the product categories which are including pharmacetical; API intermediates; Activity; Enzyme Substrates; Fluorogenic.

The physical properties of this chemical are as follows: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.183; (8)ACD/KOC (pH 7.4): 32.184; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 31.56 cm³; (15)Molar Volume: 94.322 cm³; (16)Polarizability: 12.512×10^-24 cm³; (17)Surface Tension: 61.742 dyne/cm; (18)Density: 1.564 g/cm³; (19)Flash Point: 146.401 °C; (20)Enthalpy of Vaporization: 55.996 kJ/mol; (21)Boiling Point: 318.463 °C at 760 mmHg; (22)Exact Mass: 146.999953; (23)MonoIsotopic Mass: 146.999953; (24)Topological Polar Surface Area: 51.8; (25)Heavy Atom Count: 9; (26)Complexity: 102.

Production method of this chemical: 2,4-dichloro-5-fluoro-pyrimidine could react to produce 2-chloro-5-fluoropyrimidin-4-amine. This reaction could happen in the presence of the with reagent of NH₃ and the solvent of H₂O.

Use of this chemical: 2-chloro-5-fluoropyrimidin-4-amine could react with triethoxymethane and phosphonic acid dimethyl ester to produce [(2-chloro-5-fluoro-pyrimidin-4-ylamino)-(dimethoxy-phosphoryl)-methyl]-phosphonic acid dimethyl ester. This could happen in the condition of heating.  

When you are dealing with this chemical, you should be very cautious. For one thing, it is irritant which may cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health, and it is harmful if swallowed.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=C(C(=NC(=N1)Cl)N)F
(2)InChI: InChI=1S/C4H3ClFN3/c5-4-8-1-2(6)3(7)9-4/h1H,(H2,7,8,9)
(3)InChIKey: SLQAJWTZUXJPNY-UHFFFAOYSA-N