3,4-Dihydroxybenzonitrile

Base Information

Chemical Name:3,4-Dihydroxybenzonitrile
CAS No.:17345-61-8
Molecular Formula:C7H5NO2
Molecular Weight:135.122
Hs Code.:29269090
European Community (EC) Number:241-367-9
DSSTox Substance ID:DTXSID50169616
Nikkaji Number:J287.013D
Wikidata:Q72466496
Mol file:17345-61-8.mol

Synonyms:3,4-dihydroxybenzonitrile

Suppliers and Price of 3,4-Dihydroxybenzonitrile

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
3,4-Dihydroxybenzonitrile
25g
$ 220.00

TCI Chemical
3,4-Dihydroxybenzonitrile >98.0%(GC)
25g
$ 90.00

TCI Chemical
3,4-Dihydroxybenzonitrile >98.0%(GC)
5g
$ 34.00

SynQuest Laboratories
3,4-Dihydroxybenzonitrile
5 g
$ 40.00

SynQuest Laboratories
3,4-Dihydroxybenzonitrile
25 g
$ 87.00

Sigma-Aldrich
3,4-Dihydroxybenzonitrile 97%
25g
$ 107.00

Matrix Scientific
3,4-Dihydroxybenzonitrile 97%
5g
$ 59.00

Matrix Scientific
3,4-Dihydroxybenzonitrile 97%
10g
$ 95.00

Matrix Scientific
3,4-Dihydroxybenzonitrile 97%
1g
$ 38.00

Frontier Specialty Chemicals
3,4-Dihydroxybenzonitrile 98%
5g
$ 27.00

Total 146 raw suppliers

Chemical Property of 3,4-Dihydroxybenzonitrile

Chemical Property:

Appearance/Colour:Off-white powder
Vapor Pressure:6.43E-05mmHg at 25°C
Melting Point:155-159 °C(lit.)
Refractive Index:1.647
Boiling Point:334.8 °C at 760 mmHg
PKA:7.67±0.18(Predicted)
Flash Point:156.3 °C
PSA：64.25000
Density:1.42 g/cm³
LogP:0.96948
Storage Temp.:Keep in dark place,Sealed in dry,Room Temperature
Solubility.:soluble in Methanol
Water Solubility.:insoluble
XLogP3:1.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:135.032028402
Heavy Atom Count:10
Complexity:160

Purity/Quality:

≥ 99.20% ^*data from raw suppliers

3,4-Dihydroxybenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn,Xi
Hazard Codes:Xn,Xi
Statements: 20/21/22-36/37/38
Safety Statements: 36/37-36/37/39-26-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC(=C(C=C1C#N)O)O

Technology Process of 3,4-Dihydroxybenzonitrile

There total 33 articles about 3,4-Dihydroxybenzonitrile 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%

: 139-85-5
3,4-dihydroxybenzaldehyde

: 17345-61-8
3,4-dihydroxybenzonitrile

Guidance literature:: With hydroxylamine hydrochloride; In 1-methyl-pyrrolidin-2-one; at 100 ℃; for 0.5h;

Reference yield: 96.0%

: 4421-09-4
piperonylonitrile

: 17345-61-8
3,4-dihydroxybenzonitrile

Guidance literature:: With 1,3-dimethyl-2-imidazolidinone; lithium diisopropyl amide; In tetrahydrofuran; n-heptane; ethylbenzene; at 185 ℃; for 12h; further reagent: NaN(SiMe₃)2;
DOI:10.1021/jo961191k