3,5-Dimethyl-4-hydroxybenzonitrile

Base Information Edit

Chemical Name:3,5-Dimethyl-4-hydroxybenzonitrile
CAS No.:4198-90-7
Molecular Formula:C9H9NO
Molecular Weight:147.177
Hs Code.:29269095
UNII:FP7F5WF7R4
DSSTox Substance ID:DTXSID00194791
Nikkaji Number:J87.866I
Wikidata:Q72470583
ChEMBL ID:CHEMBL4207620
Mol file:4198-90-7.mol

Synonyms:4-Hydroxy-3,5-dimethylbenzonitrile;3,5-Dimethyl-4-hydroxybenzonitrile;4198-90-7;4-Cyano-2,6-dimethylphenol;2,6-Dimethyl-4-cyanophenol;4-Hydroxy-3,5-DiMethyl-Benzonitrile;BENZONITRILE, 3,5-DIMETHYL-4-HYDROXY-;BRN 2574734;FP7F5WF7R4;CHEMBL4207620;3,5-dimethyl-4-hydroxy benzonitrile;MFCD00221716;UNII-FP7F5WF7R4;BENZONITRILE, 4-HYDROXY-3,5-DIMETHYL-;SCHEMBL197918;DTXSID00194791;CHEBI:194833;3,5 Dimethyl-4-hydroxybenzonitrile;3,5,-dimethyl-4-hydroxybenzonitrile;3,5-dimethyl-4-hydroxy-benzonitrile;4-hydroxy-3,5-dimethyl benzonitrile;BDBM50458420;4-hydroxy 3, 5-dimethyl benzonitrile;AKOS005256952;AC-8502;CS-W020066;DS-0804;PB30622;PS-4473;SB10009;AC-19781;BP-10033;LS-38702;3,5-Dimethyl-4-hydroxybenzonitrile, 97%;4-Hydroxy-3,5-dimethylbenzonitrile, 98%;A6884;AM20060814;D2790;FT-0610687;FT-0614672;FT-0667461;EN300-91953;EC 452-810-2;J-515484

Suppliers and Price of 3,5-Dimethyl-4-hydroxybenzonitrile

Supply Marketing:Edit

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
3,5-Dimethyl-4-hydroxybenzonitrile
1g
$ 50.00

TCI Chemical
4-Hydroxy-3,5-dimethylbenzonitrile >95.0%(GC)
1g
$ 27.00

TCI Chemical
4-Hydroxy-3,5-dimethylbenzonitrile >95.0%(GC)
5g
$ 114.00

SynQuest Laboratories
3,5-Dimethyl-4-hydroxybenzonitrile
100 g
$ 90.00

SynQuest Laboratories
3,5-Dimethyl-4-hydroxybenzonitrile
5 g
$ 15.00

SynQuest Laboratories
3,5-Dimethyl-4-hydroxybenzonitrile
25 g
$ 25.00

Sigma-Aldrich
3,5-Dimethyl-4-hydroxybenzonitrile 97%
1g
$ 44.40

Matrix Scientific
4-Hydroxy-3,5-dimethylbenzonitrile
25g
$ 58.00

BLDpharm
4-Hydroxy-3,5-dimethylbenzonitrile 98%
100g
$ 56.00

BLDpharm
4-Hydroxy-3,5-dimethylbenzonitrile 98%
5g
$ 7.00

Total 121 raw suppliers

Chemical Property of 3,5-Dimethyl-4-hydroxybenzonitrile Edit

Chemical Property:

Appearance/Colour:white to beige crystalline powder
Vapor Pressure:0.000325mmHg at 25°C
Melting Point:123-127 °C
Refractive Index:1.563
Boiling Point:310.6 °C at 760 mmHg
PKA:pK1:8.27 (25°C)
Flash Point:141.7 °C
PSA：44.02000
Density:1.13 g/cm³
LogP:1.88068
Storage Temp.:Refrigerator
Solubility.:soluble in Methanol
Water Solubility.:320mg/L at 20℃
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:147.068413911
Heavy Atom Count:11
Complexity:169

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dimethyl-4-hydroxybenzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): T,Xn,Xi
Hazard Codes:T,Xn,Xi
Statements: 25-36-32-20/21/22-36/37/38
Safety Statements: 26-45-36/37

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=CC(=C1O)C)C#N

Technology Process of 3,5-Dimethyl-4-hydroxybenzonitrile

There total 22 articles about 3,5-Dimethyl-4-hydroxybenzonitrile 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: 96.0%

: 4198-90-7
3,5-dimethyl-4-hydroxybenzonitrile

Guidance literature:

Reference yield: 83.0%

: 152775-45-6
4-methoxy-3,5-dimethylbenzonitrile

: 4198-90-7
3,5-dimethyl-4-hydroxybenzonitrile

Guidance literature:: With boron trichloride; tetra-(n-butyl)ammonium iodide; In n-heptane; dichloromethane; at -78 - 0 ℃; for 2h; Inert atmosphere;
DOI:10.1021/acs.orglett.5b00886

Reference yield: 72.0%

: 2374-05-2
4-bromo-2,6-dimethyl-phenol

: 109-77-3
malononitrile

: 4198-90-7
3,5-dimethyl-4-hydroxybenzonitrile

Guidance literature:: With potassium fluoride; copper(l) iodide; 1,10-Phenanthroline; bis(di-tert-?butyl(4-?dimethylaminophenyl)?phosphine)?dichloropalladium(II); sodium t-butanolate; In 1-methyl-pyrrolidin-2-one; at 130 ℃; for 24h;
DOI:10.1055/s-0033-1340176