2-(Phenylamino)acetonitrile

Base Information

Chemical Name:2-(Phenylamino)acetonitrile
CAS No.:3009-97-0
Molecular Formula:C8H8N2
Molecular Weight:132.165
Hs Code.:29269095
European Community (EC) Number:221-129-0
NSC Number:7611
UNII:XBN69BE6X2
DSSTox Substance ID:DTXSID80184175
Nikkaji Number:J7.661I
Wikidata:Q27452740
ChEMBL ID:CHEMBL1229843
Mol file:3009-97-0.mol

Synonyms:2-aminophenylacetonitrile;phenylglycine nitrile;phenylglycinonitrile

Suppliers and Price of 2-(Phenylamino)acetonitrile

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
N-Phenylglycinonitrile
100g
$ 120.00

TRC
N-Phenylglycinonitrile
250g
$ 250.00

Crysdot
2-(Phenylamino)acetonitrile 98%
100g
$ 127.00

Chemenu
2-(Phenylamino)acetonitrile 95+%
100g
$ 102.00

Apolloscientific
N-Phenylglycinonitrile 98%
25g
$ 109.00

Apolloscientific
N-Phenylglycinonitrile 98%
100g
$ 189.00

American Custom Chemicals Corporation
N-PHENYLGLYCINENITRILE 95.00%
10G
$ 1169.94

American Custom Chemicals Corporation
N-PHENYLGLYCINENITRILE 95.00%
5G
$ 673.00

Ambeed
2-(Phenylamino)acetonitrile 95%
100g
$ 82.00

Ambeed
2-(Phenylamino)acetonitrile 95%
500g
$ 46.00

Total 64 raw suppliers

Chemical Property of 2-(Phenylamino)acetonitrile

Chemical Property:

Appearance/Colour:yellowish crystalline low melting solid
Vapor Pressure:0.000924mmHg at 25°C
Melting Point:40 °C
Refractive Index:1.595
Boiling Point:303.5 °C at 760 mmHg
PKA:1.28±0.50(Predicted)
Flash Point:137.4 °C
PSA：35.82000
Density:1.112 g/cm³
LogP:1.69508
Storage Temp.:Keep in dark place,Inert atmosphere,Room temperature
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:132.068748264
Heavy Atom Count:10
Complexity:127

Purity/Quality:

99% ^*data from raw suppliers

N-Phenylglycinonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22-22
Safety Statements: 36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)NCC#N
Uses N-Phenylglycinonitrile is a useful building block used in the preparation of purine derivatives with ability to inhibit protein kinases by competitive displacement of ATP.

Technology Process of 2-(Phenylamino)acetonitrile

There total 30 articles about 2-(Phenylamino)acetonitrile 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: 100.0%

: 107-14-2
chloroacetonitrile

: 62-53-3
aniline

: 3009-97-0
N-phenylglycinonitrile

Guidance literature:: With potassium carbonate; sodium iodide; In acetonitrile; for 3h; Reflux;
DOI:10.1002/anie.201708790

Reference yield: 92.0%

: 773837-37-9
sodium cyanide

: 100-61-8
N-methylaniline

: 3009-97-0
N-phenylglycinonitrile

Guidance literature:: With C₆H₁₈NO₃Si⁽¹⁺⁾*C₇H₁₆Cl₃NO₅RuSi^(1-); dihydrogen peroxide; acetic acid; In methanol; water; at 20 ℃; for 1.5h; Reagent/catalyst;
DOI:10.1039/c3ra44051f

Reference yield: 90.0%

: 7677-24-9
trimethylsilyl cyanide

: 100-61-8
N-methylaniline

: 3009-97-0
N-phenylglycinonitrile

Guidance literature:: With amine functionalized Zr(IV) metal-organic framework (UiO-66-NH₂) through covalent hooking of EOSIN-Y; In methanol; at 20 ℃; for 4.5h;
DOI:10.1016/j.jcat.2019.02.011