Home >> Chemicals Listing >> hot product list by P  

Pyrimidine,4-chloro-2-(trifluoromethyl)- (1514-96-1)

Identification
Name:Pyrimidine,4-chloro-2-(trifluoromethyl)-
Synonyms:4-Chloro-2-(trifluoromethyl)pyrimidine;4-Chloro-2-trifluoromethyl-pyrimidine;
CAS:1514-96-1
Molecular Formula: C5H2ClF3N2
Molecular Weight: 182.53
InChI: InChI=1/C5H2ClF3N2/c6-3-1-2-10-4(11-3)5(7,8)9/h1-2H
Molecular Structure: (C5H2ClF3N2) 4-Chloro-2-(trifluoromethyl)pyrimidine;4-Chloro-2-trifluoromethyl-pyrimidine;
Properties
Flash Point: 23.6°C
Boiling Point: 115.4°Cat760mmHg
Density:1.504g/cm3
Refractive index:1.445
Appearance:Yellow power
Specification:

The 4-Chloro-2-trifluoromethyl-pyrimidine with the cas number 1514-96-1 is also called Pyrimidine,4-chloro-2-(trifluoromethyl)-. Its molecular formula is C5H2ClF3N2. This chemical is a kind of organics. It should be stored in dry and cool environment.
 

The properties of the chemical are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 123; (8)ACD/KOC (pH 7.4): 123; (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: 1.445; (14)Molar Refractivity: 32.31 cm3; (15)Molar Volume: 121.342 cm3; (16)Polarizability: 12.809×10-24cm3; (17)Surface Tension: 32.019 dyne/cm; (18)Enthalpy of Vaporization: 33.912 kJ/mol; (19)Vapour Pressure: 22.675 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccnc(n1)C(F)(F)F
(2)InChI: InChI=1/C5H2ClF3N2/c6-3-1-2-10-4(11-3)5(7,8)9/h1-2H
(3)InChIKey: OVEGSCLVOXWLIV-UHFFFAOYAR

Flash Point: 23.6°C
Safety Data