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CAS No.: | 72600-65-8 |
---|---|
Name: | 2-AMINO-3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE |
Molecular Structure: | |
Formula: | C6H4ClF3N2 |
Molecular Weight: | 180.105 |
Synonyms: | 2-AMINO-3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDINE |
Density: | 1.468 g/cm3 |
Melting Point: | 86-90 °C(lit.) |
Boiling Point: | 229.7 °C at 760 mmHg |
Flash Point: | 92.7 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22-52/53 |
Safety: | 61 |
PSA: | 38.91000 |
LogP: | 2.91720 |
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This chemical is called 3-Pyridinamine, 2-fluoro-5-(trifluoromethyl)-, and its systematic name is 2-fluoro-5-(trifluoromethyl)pyridin-3-amine. With the molecular formula of C6H4ClF3N2, its molecular weight is 196.56. The CAS registry number of this chemical is 72600-65-8. Additionally, its product categories are Amines; Blocks; Fluoro Compounds; Pyridines.
Other characteristics of the 3-Pyridinamine, 2-fluoro-5-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.35; (5)ACD/BCF (pH 5.5): 35.66; (6)ACD/BCF (pH 7.4): 35.66; (7)ACD/KOC (pH 5.5): 449.45; (8)ACD/KOC (pH 7.4): 449.46; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 33.55 cm3; (15)Molar Volume: 122.6 cm3; (16)Polarizability: 13.3×10-24cm3; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 1.468 g/cm3; (19)Flash Point: 92.7 °C; (20)Enthalpy of Vaporization: 46.63 kJ/mol; (21)Boiling Point: 229.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0685 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed. It's harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Avoid releasing it to the environment. Refer to special instructions / safety data sheets if you use it.
You can still convert the following datas into molecular structure:
1.SMILES: Nc1cc(cnc1F)C(F)(F)F
2.InChI: InChI=1/C6H4F4N2/c7-5-4(11)1-3(2-12-5)6(8,9)10/h1-2H,11H2
3.InChIKey: QVCVVVPWXVZZTP-UHFFFAOYAG