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30530-43-9

Basic Information
CAS No.: 30530-43-9
Name: 2,4-Diamino-6-(3-fluorophenyl)-1,3,5-triazine
Molecular Structure:
Molecular Structure of 30530-43-9 (2,4-Diamino-6-(3-fluorophenyl)-1,3,5-triazine)
Formula: C9H8FN5
Molecular Weight: 205.1952
Synonyms: 1,3,5-triazine-2,4-diamine, 6-(3-fluorophenyl)-;
Density: 1.433 g/cm3
Melting Point: 250-254 °C(lit.)
Boiling Point: 499.541 °C at 760 mmHg
Flash Point: 255.913 °C
Appearance: solid
Hazard Symbols: IrritantXi,HarmfulXn
Risk Codes: 22-36/37/38
Safety: 26-36
PSA: 90.71000
LogP: 2.00450
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Specification

The 2,4-Diamino-6-(3-fluorophenyl)-1,3,5-triazine, with the CAS registry number 30530-43-9, is also known as 1,3,5-Triazine-2,4-diamine, 6-(3-fluorophenyl)-. It belongs to the product categories of Building Blocks; Heterocyclic Building Blocks; Triazines. This chemical's molecular formula is C9H8FN5 and molecular weight is 205.1952. Its systematic name is called 6-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine. What's more, the product should be sealed and stored in cool and dry place.

Physical properties of 2,4-Diamino-6-(3-fluorophenyl)-1,3,5-triazine: (1)ACD/LogP: 1.63; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 12; (5)ACD/BCF (pH 7.4): 12; (6)ACD/KOC (pH 5.5): 205; (7)ACD/KOC (pH 7.4): 208; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.672; (12)Molar Refractivity: 53.585 cm3; (13)Molar Volume: 143.159 cm3; (14)Surface Tension: 75.408 dyne/cm; (15)Density: 1.433 g/cm3; (16)Flash Point: 255.913 °C; (17)Enthalpy of Vaporization: 76.796 kJ/mol; (18)Boiling Point: 499.541 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. 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. Whenever you will contact it, please wear suitable protective clothing, gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1nc(nc(N)n1)c2cc(F)ccc2
(2)InChI: InChI=1/C9H8FN5/c10-6-3-1-2-5(4-6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
(3)InChIKey: OHGKSRVADPIOLJ-UHFFFAOYAQ