CAS No.26974-09-4,2-AMINO-4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26974-09-4
Name:	2-AMINO-4-PHENYL-6-(TRIFLUOROMETHYL)PYRIMIDINE
Article Data:	7

Formula:	C₁₁H₈F₃N₃
Molecular Weight:	239.2
Synonyms:	Pyrimidine,2-amino-4-phenyl-6-(trifluoromethyl)- (8CI);2-Amino-4-phenyl-6-(trifluoromethyl)pyrimidine;4-Phenyl-6-(trifluoromethyl)-2-pyrimidinylamine;
Density:	1.351 g/cm³
Melting Point:	131-133 °C
Boiling Point:	397.5 °C at 760 mmHg
Flash Point:	194.2 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	51.80000
LogP:	3.32580

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Specification

The systematic name of 2-Amino-4-phenyl-6-(trifluoromethyl)pyrimidine is 4-phenyl-6-(trifluoromethyl)pyrimidin-2-amine. With the CAS registry number 26974-09-4, it is also named as 2-Pyrimidinamine,4-phenyl-6-(trifluoromethyl)-. In addition, its molecular formula is C₁₁H₈F₃N₃ and molecular weight is 239.20.

The other characteristics of 2-Amino-4-phenyl-6-(trifluoromethyl)pyrimidine can be summarized as: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 55.05; (6)ACD/BCF (pH 7.4): 55.05; (7)ACD/KOC (pH 5.5): 613.27; (8)ACD/KOC (pH 7.4): 613.28; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.02 Å²; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 56.24 cm³; (15)Molar Volume: 176.9 cm³; (16)Polarizability: 22.29×10^-24cm³; (17)Surface Tension: 42.5 dyne/cm; (18)Density: 1.351 g/cm³; (19)Flash Point: 194.2 °C; (20)Melting Point: 131-133 °C; (21)Enthalpy of Vaporization: 64.79 kJ/mol; (22)Boiling Point: 397.5 °C at 760 mmHg; (23)Vapour Pressure: 1.58E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)c2nc(nc(c1ccccc1)c2)N
(2)InChI: InChI=1/C11H8F3N3/c12-11(13,14)9-6-8(16-10(15)17-9)7-4-2-1-3-5-7/h1-6H,(H2,15,16,17)
(3)InChIKey: ZHXBPRJAAQLLMC-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C11H8F3N3/c12-11(13,14)9-6-8(16-10(15)17-9)7-4-2-1-3-5-7/h1-6H,(H2,15,16,17)
(5)Std. InChIKey: ZHXBPRJAAQLLMC-UHFFFAOYSA-N