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870704-12-4

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Basic Information
CAS No.: 870704-12-4
Name: 2,4-Diamino-6-(3,5-difluorophenyl)-1,3,5-triazine
Molecular Structure:
Molecular Structure of 870704-12-4 (2,4-Diamino-6-(3,5-difluorophenyl)-1,3,5-triazine)
Formula: C9H7F2N5
Molecular Weight: 223.19
Synonyms: 6-(3,5-Difluorophenyl)-1,3,5-triazine-2,4-diamine;1,3,5-Triazine-2,4-diamine, 6-(3,5-difluorophenyl)-;
Density: 1.514 g/cm3
Melting Point: >300 °C
Boiling Point: 493 °C at 760 mmHg
Flash Point: 251.9 °C
Hazard Symbols: IrritantXi
Risk Codes: 36
Safety: 26-36
PSA: 90.71000
LogP: 2.14360
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Specification

The 2,4-Diamino-6-(3,5-difluorophenyl)-1,3,5-triazine, with the CAS registry number 870704-12-4, is also known as 1,3,5-Triazine-2,4-diamine, 6-(3,5-difluorophenyl)-. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Triazines. This chemical's molecular formula is C9H7F2N5 and molecular weight is 223.19. What's more, its systematic name is 6-(3,5-difluorophenyl)-1,3,5-triazine-2,4-diamine. 

Physical properties of 2,4-Diamino-6-(3,5-difluorophenyl)-1,3,5-triazine are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 24.8; (6)ACD/BCF (pH 7.4): 24.95; (7)ACD/KOC (pH 5.5): 345.98; (8)ACD/KOC (pH 7.4): 348.08; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.15 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 53.57 cm3; (15)Molar Volume: 147.3 cm3; (16)Polarizability: 21.24×10-24cm3; (17)Surface Tension: 71.8 dyne/cm; (18)Density: 1.514 g/cm3; (19)Flash Point: 251.9 °C; (20)Enthalpy of Vaporization: 76 kJ/mol; (21)Boiling Point: 493 °C at 760 mmHg; (22)Vapour Pressure: 7.32E-10 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, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(F)c1)c2nc(nc(n2)N)N
(2)Std. InChI: InChI=1S/C9H7F2N5/c10-5-1-4(2-6(11)3-5)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)
(3)Std. InChIKey: KZOOJXHXDYIPOL-UHFFFAOYSA-N