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Benzonitrile,2-amino-4,5-difluoro-

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Name

Benzonitrile,2-amino-4,5-difluoro-

EINECS N/A
CAS No. 219823-49-1 Density 1.36 g/cm3
PSA 49.81000 LogP 1.99988
Solubility N/A Melting Point N/A
Formula C7H4F2N2 Boiling Point 288.7 °C at 760 mmHg
Molecular Weight 154.119 Flash Point 128.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 219823-49-1 (Benzonitrile, 2-amino-4,5-difluoro- (9CI)) Hazard Symbols N/A
Synonyms

2-Amino-4,5-difluorobenzonitrile;

Article Data 4

Benzonitrile,2-amino-4,5-difluoro- Specification

The CAS registry number of Benzonitrile,2-amino-4,5-difluoro- is 219823-49-1. It belongs to the product category of Halide. This chemical's molecular formula is C7H4F2N2 and molecular weight is 154.1168664. What's more, its systematic name is called 2-Amino-4,5-difluorobenzonitrile.

Physical properties about Benzonitrile,2-amino-4,5-difluoro- are: (1)ACD/LogP: 1.73; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.73; (4)ACD/LogD (pH 7.4): 1.73; (5)ACD/BCF (pH 5.5): 12.08; (6)ACD/BCF (pH 7.4): 12.08; (7)ACD/KOC (pH 5.5): 207.15; (8)ACD/KOC (pH 7.4): 207.15; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 27.03 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 35.16 cm3; (15)Molar Volume: 113.2 cm3; (16)Polarizability: 13.93×10-24 cm3; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.36 g/cm3; (19)Flash Point: 128.4 °C; (20)Enthalpy of Vaporization: 52.79 kJ/mol; (21)Boiling Point: 288.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0023 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc1cc(F)c(F)cc1N
(2) InChI: InChI=1/C7H4F2N2/c8-5-1-4(3-10)7(11)2-6(5)9/h1-2H,11H2
(3) InChIKey: WQDUYGGOVGUBMO-UHFFFAOYAQ

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