2-Amino-4-fluorobenzonitrile supplier

Name
2-Amino-4-fluorobenzonitrile
EINECS
CAS No. 80517-22-2
Article Data5
CAS DataBase
Density 1.256 g/cm³
Solubility
Melting Point 102.2 °C (decomp)
Formula C₇H₅FN₂
Boiling Point 284.672 °C at 760 mmHg
Molecular Weight 136.129
Flash Point 125.965 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms CHEMBL1082237;CHEBI:715547;CID11779266;N-[6-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,2-dihydroindazol-3-yl]butanamide;4-Fluoroanthranilonitrile;Benzonitrile, 2-amino-4-fluoro-;2-Amino-4-fluorobenzonitrile 98%;
PSA 49.81000
LogP 1.86078

2-Amino-4-fluorobenzonitrile Specification

The 2-Amino-4-fluorobenzonitrile with CAS registry number of 80517-22-2 is also known as 4-Fluoroanthranilonitrile. It belongs to product categories of Phenyls & Phenyl-Het. Its IUPAC name is N-[6-(4-Oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydroindazol-3-yl]butanamide. In addition, the formula is C₇H₅FN₂ and the molecular weight is 136.13.

Physical properties about this chemical are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 240; (8)ACD/KOC (pH 7.4): 240; (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: 1.56; (14)Molar Refractivity: 35.05 cm³; (15)Molar Volume: 108.37 cm³; (16)Polarizability: 13.895×10^-24cm³; (17)Surface Tension: 50.105 dyne/cm; (18)Enthalpy of Vaporization: 52.367 kJ/mol; (19)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(F)cc1N
(2)InChI: InChI=1/C7H5FN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
(3)InChIKey: CBXKVIFVKCNVGJ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H5FN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
(5)Std. InChIKey: CBXKVIFVKCNVGJ-UHFFFAOYSA-N

Product Name

2-Amino-4-fluorobenzonitrile

2-Amino-4-fluorobenzonitrile Specification

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