5-Amino-2-fluorobenzonitrile

Base Information

Chemical Name:5-Amino-2-fluorobenzonitrile
CAS No.:53312-81-5
Molecular Formula:C7H5N2F
Molecular Weight:136.129
Hs Code.:29269090
European Community (EC) Number:627-747-0
DSSTox Substance ID:DTXSID10967918
Nikkaji Number:J1.327.633A
Wikidata:Q72437135
ChEMBL ID:CHEMBL4580748
Mol file:53312-81-5.mol

Synonyms:5-Amino-2-fluorobenzonitrile;53312-81-5;3-Cyano-4-fluoroaniline;2-fluoro-5-aminobenzonitrile;5-Amino-2-fluoro-benzonitrile;Benzonitrile, 5-amino-2-fluoro-;MFCD00277872;4-fluoro-3-cyanoaniline;3-cyano-4-fluoro aniline;3-amino-6-fluorobenzonitrile;SCHEMBL145984;CHEMBL4580748;DTXSID10967918;HHTRAISBAAXRKZ-UHFFFAOYSA-N;5-Amino-2-fluorobenzonitrile, 97%;BBL100260;STL169015;AKOS005063928;AC-4019;CS-W019977;DS-0893;PS-9111;SB75398;SY010154;A7760;AM20040653;FT-0640147;EN300-61857;Z975767062

Suppliers and Price of 5-Amino-2-fluorobenzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
5-Amino-2-fluorobenzonitrile
10g
$ 75.00

TRC
5-Amino-2-fluorobenzonitrile
1g
$ 45.00

SynQuest Laboratories
5-Amino-2-fluorobenzonitrile 97%
100 g
$ 352.00

SynQuest Laboratories
5-Amino-2-fluorobenzonitrile 97%
25 g
$ 136.00

Sigma-Aldrich
5-Amino-2-fluorobenzonitrile 97%
5g
$ 48.80

Sigma-Aldrich
5-Amino-2-fluorobenzonitrile 97%
25g
$ 212.00

Matrix Scientific
5-Amino-2-fluorobenzonitrile 98%
100g
$ 145.00

Matrix Scientific
5-Amino-2-fluorobenzonitrile 98%
5g
$ 12.00

Matrix Scientific
5-Amino-2-fluorobenzonitrile 98%
25g
$ 41.00

Frontier Specialty Chemicals
5-Amino-2-fluorobenzonitrile 98%
5g
$ 47.00

Total 97 raw suppliers

Chemical Property of 5-Amino-2-fluorobenzonitrile

Chemical Property:

Vapor Pressure:0.0118mmHg at 25°C
Melting Point:92-96 °C(lit.)
Refractive Index:1.445
Boiling Point:294.5 °C at 760 mmHg
PKA:2.85±0.10(Predicted)
Flash Point:131.9 °C
PSA：49.81000
Density:1.25 g/cm³
LogP:1.86078
Storage Temp.:2-8°C
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:136.04367633
Heavy Atom Count:10
Complexity:160

Purity/Quality:

99% ^*data from raw suppliers

5-Amino-2-fluorobenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi, T
Hazard Codes:Xi,T
Statements: 38-41
Safety Statements: 26-39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1N)C#N)F
Uses 5-Amino-2-fluorobenzonitrile is a useful research chemical.

Technology Process of 5-Amino-2-fluorobenzonitrile

There total 5 articles about 5-Amino-2-fluorobenzonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

: 518990-00-6
C₇H₃BrFNZn

: 53312-81-5
3-cyano-4-fluoroaniline

Guidance literature:: C₇H₃BrFNZn; With copper(I) chloride bis(lithium chloride) complex; In tetrahydrofuran; at -78 ℃; for 0.5h; Inert atmosphere;

With 3,3’-di-tert-butyl oxaziridine; In tetrahydrofuran; at -78 ℃; for 0.166667h; Inert atmosphere;
DOI:10.1021/jacs.6b12712

Reference yield:

: 64248-64-2
2,5-difluorobenzonitrile

: 53312-81-5
3-cyano-4-fluoroaniline

Guidance literature:: 2,5-difluorobenzonitrile; With ammonia; In sulfolane; at 120 ℃; for 2h;

With sodium nitrite; In sulfolane; water; at 30 ℃;

Reference yield:

: 16588-02-6
4-chloro-3-cyanonitrobenzene

: 53312-81-5
3-cyano-4-fluoroaniline

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / NaF, 18-crown-6 / acetonitrile / 6 h / Heating

2: 95 percent / Fe-powder, conc. HCl / ethanol; H₂O / 2 h / Heating

With hydrogenchloride; 18-crown-6 ether; iron; sodium fluoride; In ethanol; water; acetonitrile;
DOI:10.1002/jhet.5570280324