Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
2-Amino-4-chloro-6-trifluoromethyl-pyrimidine |
EINECS | N/A |
CAS No. | 16097-60-2 | Density | 1.598 g/cm3 |
PSA | 51.80000 | LogP | 2.31220 |
Solubility | N/A | Melting Point |
92-93 °C |
Formula | C5H3ClF3N3 | Boiling Point | 280.733 °C at 760 mmHg |
Molecular Weight | 197.547 | Flash Point | 123.583 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrimidine,2-amino-4-chloro-6-(trifluoromethyl)- (8CI);4-Chloro-6-(trifluoromethyl)pyrimidin-2-amine; |
Article Data | 10 |
The IUPAC name of 2-Pyrimidinamine,4-chloro-6-(trifluoromethyl)- is 4-chloro-6-(trifluoromethyl)pyrimidin-2-amine. With the CAS registry number 16097-60-2, it is also named as 2-Amino-4-chloro-6-trifluoromethyl-pyrimidine. The product's categories are Building Blocks; Pyrimidine. In addition, its molecular formula is C5H3ClF3N3 and molecular weight is 197.55.
The other characteristics of 2-Pyrimidinamine,4-chloro-6-(trifluoromethyl)- can be summarized as: (1)ACD/LogP: 0.68; (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): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 56; (8)ACD/KOC (pH 7.4): 56; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 36.546 cm3; (15)Molar Volume: 123.622 cm3; (16)Polarizability: 14.488×10-24cm3; (17)Surface Tension: 41.877 dyne/cm; (18)Density: 1.598 g/cm3; (19)Flash Point: 123.583 °C; (20)Enthalpy of Vaporization: 51.949 kJ/mol; (21)Boiling Point: 280.733 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: c1c(nc(nc1Cl)N)C(F)(F)F
(2)InChI: InChI=1/C5H3ClF3N3/c6-3-1-2(5(7,8)9)11-4(10)12-3/h1H,(H2,10,11,12)
(3)InChIKey: ZLIUVGFJXHOHLN-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C5H3ClF3N3/c6-3-1-2(5(7,8)9)11-4(10)12-3/h1H,(H2,10,11,12)
(5)Std. InChIKey: ZLIUVGFJXHOHLN-UHFFFAOYSA-N