3-Fluoro-4-aminobenzonitrile supplier

Name
3-Fluoro-4-aminobenzonitrile
EINECS
CAS No. 63069-50-1
Article Data16
CAS DataBase
Density 1.25 g/cm³
Solubility
Melting Point 70-74 °C
Formula C₇H₅FN₂
Boiling Point 264.2 °C at 760 mmHg
Molecular Weight 136.129
Flash Point 113.6 °C
Transport Information UN 3439
Appearance
Safety 26-36/37
Risk Codes Xi,T:;
Molecular Structure
Hazard Symbols Xi, T
Synonyms 4-Amino-3-fluorobenzenecarbonitrile;4-Amino-3-fluorobenzonitrile;4-Cyano-2-fluoroaniline;
PSA 49.81000
LogP 1.86078

3-Fluoro-4-aminobenzonitrile Specification

The IUPAC name of this chemical is 4-Amino-3-fluorobenzonitrile. With the CAS registry number 63069-50-1, it is also named as Benzonitrile,4-amino-3-fluoro-. In addition, the molecular formula is C₇H₅FN₂ and the molecular weight is 136.13. It belongs to the classes of Amines; Blocks; Carboxes; FluoroCompounds; Aromatic Nitriles; Fluorobenzonitrile Series. What's more, it is a kind of irritant chemical. And it should be stored in a airtight, cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.56; (6)ACD/BCF (pH 7.4): 4.56; (7)ACD/KOC (pH 5.5): 103.1; (8)ACD/KOC (pH 7.4): 103.1; (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: 1.56; (14)Molar Refractivity: 35.05 cm³; (15)Molar Volume: 108.3 cm³; (16)Polarizability: 13.89 ×10^-24cm³; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.25 g/cm³; (19)Flash Point: 113.6 °C; (20)Enthalpy of Vaporization: 50.2 kJ/mol; (21)Boiling Point: 264.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00987 mmHg at 25°C.

Uses of 4-Chloro-3-methylphenol: it is an important intermediate of organic synthesis. It can be used in pharmaceutical intermediates, organic synthesis and organic solvents. In addition, it can be used to produce dye, pesticide and spices.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C#N)ccc1N
(2)InChI: InChI=1/C7H5FN2/c8-6-3-5(4-9)1-2-7(6)10/h1-3H,10H2
(3)InChIKey: RLMBRRQWBTWGMB-UHFFFAOYAR

Product Name

3-Fluoro-4-aminobenzonitrile

3-Fluoro-4-aminobenzonitrile Specification

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