3-Amino-2,6-difluorobenzonitrile supplier

Name
3-AMINO-2,6-DIFLUOROBENZONITRILE
EINECS
CAS No. 143879-78-1
Article Data2
CAS DataBase
Density 1.361 g/cm³
Solubility
Melting Point
Formula C₇H₄F₂N₂
Boiling Point 266.055 °C at 760 mmHg
Molecular Weight 154.119
Flash Point 114.707 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzonitrile, 3-amino-2,6-difluoro- (9CI);Benzonitrile, 3-aMino-2,6-difluoro-;3-Cyano-2,4-difluoroaniline
PSA 49.81000
LogP 1.99988

3-Amino-2,6-difluorobenzonitrile 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

Product Name

3-AMINO-2,6-DIFLUOROBENZONITRILE

3-Amino-2,6-difluorobenzonitrile Specification

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