2,4-Difluoro-5-nitrobenzonitrile supplier

Name
2,4-Difluoro-5-nitrobenzonitrile
EINECS
CAS No. 67152-20-9
Article Data7
CAS DataBase
Density 1.51 g/cm³
Solubility
Melting Point
Formula C₇H₂F₂N₂O₂
Boiling Point 271.5 °C at 760 mmHg
Molecular Weight 184.102
Flash Point 118 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Benzonitrile, 2,4-difluoro-5-nitro-;2,4-difluoro-5-nitrobenzenecarbonitrile;2,4-Difluoro-5-cyanonitrobenzene;
PSA 69.61000
LogP 2.26788

2,4-Difluoro-5-nitrobenzonitrile Specification

The systematic name of 2,4-Difluoro-5-nitrobenzonitrile is 2,4-difluoro-5-nitrobenzonitrile. With the CAS registry number 67152-20-9, it is also named as Benzonitrile, 2,4-difluoro-5-nitro-. The product's category is Aromatic Nitriles. In addition, its molecular formula is C₇H₂F₂N₂O₂ and its molecular weight is 184.1.

The other characteristics of 2,4-Difluoro-5-nitrobenzonitrile can be summarized as: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 69.61 Å²; (7)Index of Refraction: 1.529; (8)Molar Refractivity: 37.57 cm³; (9)Molar Volume: 121.8 cm³; (10)Polarizability: 14.89×10^-24cm³; (11)Surface Tension: 50.5 dyne/cm; (12)Density: 1.51 g/cm³; (13)Flash Point: 118 °C; (14)Enthalpy of Vaporization: 50.97 kJ/mol; (15)Boiling Point: 271.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00642 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: N#Cc1cc(c(F)cc1F)[N+]([O-])=O
(2)InChI: InChI=1/C7H2F2N2O2/c8-5-2-6(9)7(11(12)13)1-4(5)3-10/h1-2H
(3)InChIKey: MREZSSGRNNMUKZ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H2F2N2O2/c8-5-2-6(9)7(11(12)13)1-4(5)3-10/h1-2H
(5)Std. InChIKey: MREZSSGRNNMUKZ-UHFFFAOYSA-N

Product Name

2,4-Difluoro-5-nitrobenzonitrile

2,4-Difluoro-5-nitrobenzonitrile Specification

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