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| CAS No.: | 143879-78-1 |
|---|---|
| Name: | 3-AMINO-2,6-DIFLUOROBENZONITRILE |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C7H4F2N2 |
| Molecular Weight: | 154.119 |
| Synonyms: | Benzonitrile, 3-amino-2,6-difluoro- (9CI);Benzonitrile, 3-aMino-2,6-difluoro-;3-Cyano-2,4-difluoroaniline |
| Density: | 1.361 g/cm3 |
| Boiling Point: | 266.055 °C at 760 mmHg |
| Flash Point: | 114.707 °C |
| PSA: | 49.81000 |
| LogP: | 1.99988 |
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- Total:28 Page 1 of 1 1
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Specification
This chemical is called Benzonitrile, 3-amino-2,6-difluoro-, and its systematic name is 3-Amino-2,6-difluorobenzonitrile. With the molecular formula of C7H4F2N2, its molecular weight is 154.12. The CAS registry number of this chemical is 143879-78-1. Additionally, its product category is Halide.
Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 2.49; (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): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 115; (8)ACD/KOC (pH 7.4): 115; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 49.81 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 35.163 cm3; (15)Molar Volume: 113.213 cm3; (16)Polarizability: 13.94×10-24cm3; (17)Surface Tension: 46.521 dyne/cm; (18)Density: 1.361 g/cm3; (19)Flash Point: 114.707 °C; (20)Enthalpy of Vaporization: 50.401 kJ/mol; (21)Boiling Point: 266.055 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1c(C#N)c(F)ccc1N
2.InChI: InChI=1/C7H4F2N2/c8-5-1-2-6(11)7(9)4(5)3-10/h1-2H,11H2
3.InChIKey: RXLFDOQOCRNACG-UHFFFAOYAE