Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

2-Amino-6-fluorobenzonitrile

Related Products

Hot Products

Name

2-Amino-6-fluorobenzonitrile

EINECS N/A
CAS No. 77326-36-4 Density 1.256 g/cm3
PSA 49.81000 LogP 1.86078
Solubility N/A Melting Point 125-128 °C(lit.)
Formula C7H5FN2 Boiling Point 275.775 °C at 760 mmHg
Molecular Weight 136.129 Flash Point 120.585 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36/37/39-22 Risk Codes 36/37/38-20/21/22
Molecular Structure Molecular Structure of 77326-36-4 (2-Amino-6-fluorobenzonitrile) Hazard Symbols IrritantXi,ToxicT,HarmfulXn
Synonyms

2-Amino-6-fluoro benzonitrile;2-Amino-6-fluorobenzonitrile(77326-36-4);2-Fluoro-6-aminobenzonitrile;2-Amino-6-fluorobenzo-nitrile;Benzonitrile, 2-amino-6-fluoro-;

Article Data 10

2-Amino-6-fluorobenzonitrile Synthetic route

1897-52-5

2,6 difluorobenzonitrile

77326-36-4

2-amino-6-fluorobenzonitrile

Conditions
ConditionsYield
With ammonia In dimethyl sulfoxide at 80℃; for 80h; closed bottle;99%
With ammonia In ethanol at 140℃; under 10343.2 Torr; for 6h;97%
With ammonia In dimethyl sulfoxide at 80 - 120℃;97.5%
372-19-0

meta-fluoroaniline

545-06-2

trichloroacetonitrile

77326-36-4

2-amino-6-fluorobenzonitrile

Conditions
ConditionsYield
With boron trichloride; tin(IV) chloride; potassium carbonate 1.) CH2Cl2, reflux, 24 h, 2.) CH3OH, reflux, 2.5 h; Yield given. Multistep reaction;
1194-65-6

2,6-dichloro-benzonitrile

77326-36-4

2-amino-6-fluorobenzonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: KF; 18-crown-6 / 3 h / 180 °C
2: NH3 / 10 h / 100 °C
View Scheme
NH4 OAc

NH4 OAc

1897-52-5

2,6 difluorobenzonitrile

77326-36-4

2-amino-6-fluorobenzonitrile

Conditions
ConditionsYield
In formamide

2-(aminomethyl)-3-fluoroaniline

77326-36-4

2-amino-6-fluorobenzonitrile

Conditions
ConditionsYield
With ammonium hydroxide; oxygen In tert-Amyl alcohol at 110℃; under 2250.23 Torr; for 24h; Autoclave; Green chemistry;92 %Chromat.
77326-36-4

2-amino-6-fluorobenzonitrile

115643-59-9

2-amino-6-fluorobenzamide

Conditions
ConditionsYield
With water; potassium carbonate at 150℃; for 0.25h; Microwave irradiation;99%
With water; potassium carbonate at 150℃; for 0.5h; Microwave irradiation;94%
With water; potassium carbonate In water at 150℃; for 0.5h; Microwave irradiation;94%
77326-36-4

2-amino-6-fluorobenzonitrile

4637-24-5

N,N-dimethyl-formamide dimethyl acetal

N’-(2-cyano-3-fluorophenyl)-N,N-dimethylformimidamide

Conditions
ConditionsYield
at 100℃; for 0.5h;99%
In toluene at 120℃; for 1.5h;
77326-36-4

2-amino-6-fluorobenzonitrile

329-15-7

4-trifluoromethyl-phenyl acetyl chloride

N-(2-cyano-3-fluorphenyl)-4-(trifluoromethyl)benzamide

Conditions
ConditionsYield
With pyridine at 20℃; for 16h; Inert atmosphere;99%
77326-36-4

2-amino-6-fluorobenzonitrile

541-41-3

chloroformic acid ethyl ester

ethyl (2-cyano-3-fluorophenyl)carbamate

Conditions
ConditionsYield
at 100℃; for 18h;99%
77326-36-4

2-amino-6-fluorobenzonitrile

2-amino-6-fluorobenzothioamide

Conditions
ConditionsYield
With sodium hydrogen sulfide monohydrate; magnesium chloride In N,N-dimethyl-formamide at 20℃; for 72h; Sealed tube;97%

2-Amino-6-fluorobenzonitrile Specification

The 2-Amino-6-fluorobenzonitrile, with the CAS registry number 77326-36-4, is also known as Benzonitrile, 2-amino-6-fluoro-. And the molecular formula of this chemical is C7H5FN2. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Nitrile; Aromatic Nitriles; Benzene series. What's more, it is used as intermediate of pesticide and medicine.

The physical properties of 2-Amino-6-fluorobenzonitrile are as following: (1)ACD/LogP: 2.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.165; (4)ACD/LogD (pH 7.4): 2.165; (5)ACD/BCF (pH 5.5): 26.041; (6)ACD/BCF (pH 7.4): 26.041; (7)ACD/KOC (pH 5.5): 358.87; (8)ACD/KOC (pH 7.4): 358.877; (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)Density: 1.256 g/cm3; (19)Flash Point: 120.585 °C; (20)Enthalpy of Vaporization: 51.425 kJ/mol; (21)Boiling Point: 275.775 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.

Uses of 2-Amino-6-fluorobenzonitrile: It can react with tetrahydro-pyran-2-one to produce 5-fluoro-3,4-dihydro-2H-1-oxa-9-aza-anthracen-10-ylamine. This reaction will need reagents TiCl4 and triethylamine, and the solvent CH2Cl2. The reaction time is 18 hours with ambient temperature, and the yield is about 55%. 

2-Amino-6-fluorobenzonitrile can react with tetrahydro-pyran-2-one to produce 5-fluoro-3,4-dihydro-2H-1-oxa-9-aza-anthracen-10-ylamine

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Do not breathe dust; Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(c(c(c1)F)C#N)N
(2)InChI: InChI=1/C7H5FN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2
(3)InChIKey: IQUNZGOZUJITBJ-UHFFFAOYAA

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 77326-36-4