4-(2-Hydroxyethyl)-3-nitrobenzonitrile

Base Information

Chemical Name:4-(2-Hydroxyethyl)-3-nitrobenzonitrile
CAS No.:69395-14-8
Molecular Formula:C9H8N2O3
Molecular Weight:192.17100
Hs Code.:2926909090
DSSTox Substance ID:DTXSID80568895
Wikidata:Q82455301
Mol file:69395-14-8.mol

Synonyms:4-(2-Hydroxyethyl)-3-nitrobenzonitrile;69395-14-8;DTXSID80568895;SB84869

Suppliers and Price of 4-(2-Hydroxyethyl)-3-nitrobenzonitrile

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

Crysdot
4-(2-Hydroxyethyl)-3-nitrobenzonitrile 95+%
1g
$ 581.00

Chemenu
4-(2-hydroxyethyl)-3-nitrobenzonitrile 95%
1g
$ 549.00

Alichem
4-(2-Hydroxyethyl)-3-nitrobenzonitrile
1g
$ 502.44

Total 2 raw suppliers

Chemical Property of 4-(2-Hydroxyethyl)-3-nitrobenzonitrile

Chemical Property:

Boiling Point:351.0±37.0 °C(Predicted)
PKA:14.49±0.10(Predicted)
PSA：89.84000
Density:1.35±0.1 g/cm3(Predicted)
LogP:1.52448
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:192.05349212
Heavy Atom Count:14
Complexity:253

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

4-(2-Hydroxyethyl)-3-nitrobenzonitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C#N)[N+](=O)[O-])CCO

Technology Process of 4-(2-Hydroxyethyl)-3-nitrobenzonitrile

There total 7 articles about 4-(2-Hydroxyethyl)-3-nitrobenzonitrile 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:

: 100-27-6
2-(4-nitrophenyl)ethanol

: 69395-14-8
4-(2-hydroxyethyl)-3-nitrobenzonitrile

Guidance literature:: Multi-step reaction with 5 steps

1: 16.2 g / H₂ / PtO₂ / aq. ethanol

2: 1.) HCl, NaNO₂; 2.) Cu₂Cl₂ / H₂O / 1.) 3 deg C; 2.) 3-50 deg C, 4 h

3: acetic anhydride / 0.5 h / Ambient temperature

4: H₂SO₄, HNO₃ / 2.5 h / 0 - 5 °C

5: HCl / methanol / 0.5 h / Heating

With copper(I) chloride; hydrogenchloride; sulfuric acid; hydrogen; nitric acid; sodium nitrite; platinum(IV) oxide; In methanol; ethanol; water; acetic anhydride;
DOI:10.1002/hlca.19810640547

Reference yield:

: 103-45-7
acetic acid phenethyl ester

: 69395-14-8
4-(2-hydroxyethyl)-3-nitrobenzonitrile

Guidance literature:: Multi-step reaction with 6 steps

1: 1.) H₂SO₄, HNO₃; 2.) HCl / 1.) acetic anhydride, -15 deg C, 105 min; 2.) methanol, reflux, 3.5 h

2: 16.2 g / H₂ / PtO₂ / aq. ethanol

3: 1.) HCl, NaNO₂; 2.) Cu₂Cl₂ / H₂O / 1.) 3 deg C; 2.) 3-50 deg C, 4 h

4: acetic anhydride / 0.5 h / Ambient temperature

5: H₂SO₄, HNO₃ / 2.5 h / 0 - 5 °C

6: HCl / methanol / 0.5 h / Heating

With copper(I) chloride; hydrogenchloride; sulfuric acid; hydrogen; nitric acid; sodium nitrite; platinum(IV) oxide; In methanol; ethanol; water; acetic anhydride;
DOI:10.1002/hlca.19810640547