Fenazaquin

IUPAC: 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline

CAS 120928-09-8
C20H22N2O

Fenazaquin (CAS 120928-09-8) is a chemical compound with molecular formula C20H22N2O and molecular weight 306.4 g/mol . GHS signal word: Danger. Hazard classifications: Toxic, Health Hazard, Hazardous to the Environment.

What is Fenazaquin?

Molecular Formula
C20H22N2O
Molecular Weight
306.40 g/mol
Melting Point
77.5-80 °C
Density
1.16
Solubility
In acetone, hexane 33-50, acetone, ethyl acetate 400-500, n-chlorobutane, chloroform, toluene, N-methyl-2-pyrrolidone >500, dichloromethane >600, dimethylformamide 300-400, ethylene glycol <5, isopropanol, methanol 50-100 (all in g/L at 23 °C)

Description

Fenazaquin is a member of quinazolines. It has a role as an acaricide and a mitochondrial NADH:ubiquinone reductase inhibitor.

Structure Identifiers

SMILES
CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32
InChI
InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3
InChIKey
DMYHGDXADUDKCQ-UHFFFAOYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
306.1732 Da
XLogP
5.70
TPSA
35.0 Ų
H-Bond Donors
0
H-Bond Acceptors
3
Complexity
357
Formal Charge
0

Experimental

Measured physical and chemical properties from experimental literature.

Color / Form
Colorless crystals
Vapor Pressure
3.4X10-3 mPa /2.55X10-8 mm Hg/ at 25 °C
LogP
log Kow = 5.51 at 20 °C
Dissociation Constants
pKa = 2.44
Decomposition
When heated to decomposition it emits toxic fumes of /nitrogen oxides/.

Safety information

Signal Word

Danger

GHS Pictograms

GHS pictogram: Toxic GHS06
GHS pictogram: Health Hazard GHS07
GHS pictogram: Hazardous to the Environment GHS09

Hazard Statements

  • H301 Toxic if swallowed

Precautionary Statements

  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 Wash thoroughly after handling
  • P270 Do not eat, drink or smoke when using this product
  • P271 Use only outdoors or in a well-ventilated area
  • P273 Avoid release to the environment
  • P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P330 Rinse mouth
  • P391 Collect spillage
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (58)

  • Magus
  • C18727
  • D94877
  • DE-436
  • EL 436
  • EL-436
  • Fenaza
  • XDE436
  • KS-5370
  • XDE 436
  • GWN 1708
  • Magister
  • MSK25075
  • Q1404580
  • 410-580-0
  • DB-041590
  • HSDB 7948
  • HY-117397
  • CS-0065863
  • DK5Q534WEE
  • Fenazachin
  • Fenazaquin
  • GLXC-21911
  • NS00006654
  • orb1705896
  • 120928-09-8
  • CHEBI:38593
  • Pride Ultra
  • CHEMBL243282
  • EC 410-580-0
  • MFCD01656049
  • SCHEMBL26216
  • Tox21_301223
  • AKOS015903772
  • DTXCID2020476
  • DTXSID4040476
  • RefChem:140105
  • CAS-120928-09-8
  • FENAZAQUIN [MI]
  • NCGC00255594-01
  • SCHEMBL29429249
  • UNII-DK5Q534WEE
  • Fenazaquin [ISO]
  • Fenazaquin 10 microg/mL in Cyclohexane
  • 4-(4-(tert-Butyl)phenethoxy)quinazoline
  • Fenazaquin 10 microg/mL in Acetonitrile
  • Fenazaquin 100 microg/mL in Cyclohexane
  • 4-[2-[4-(t-Butyl)phenyl]ethoxy]quinazoline
  • 4-tert-Butylphenethylquinazolin-4-yl ether
  • 4-(2-(4-tert-butylphenyl)ethoxy)quinazoline
Show 8 more names
  • 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline
  • 4-tert-butylphenethyl quinazolin-4-yl ether
  • Fenazaquin, PESTANAL(R), analytical standard
  • 4-(2-(4-(TERT-BUTYL)PHENYL)ETHOXY)QUINAZOLINE
  • 4-((4-(1,1-Dimethylethyl)phenyl)ethoxy)quinazoline
  • 4-(2-(4-(1,1-Dimethylethyl)phenyl)ethoxy)quinazoline
  • Quinazoline, 4-((4-(1,1-dimethylethyl)phenyl)ethoxy)-
  • Quinazoline, 4-(2-(4-(1,1-dimethylethyl)phenyl)ethoxy)-

Frequently asked questions

What is the CAS number of Fenazaquin?

The CAS Registry Number for Fenazaquin is 120928-09-8.

What is the IUPAC name of Fenazaquin?

The IUPAC name of Fenazaquin is 4-[2-(4-tert-butylphenyl)ethoxy]quinazoline.

What is the molecular formula of Fenazaquin?

Fenazaquin has the molecular formula C20H22N2O and a molecular weight of 306.4 g/mol.

What is the SMILES notation for Fenazaquin?

The SMILES notation for Fenazaquin is CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32.

What is the melting point of Fenazaquin?

The melting point of Fenazaquin is 77.5-80 °C.

What is the density of Fenazaquin?

The density of Fenazaquin is 1.16.

How soluble is Fenazaquin?

Solubility of Fenazaquin: In acetone, hexane 33-50, acetone, ethyl acetate 400-500, n-chlorobutane, chloroform, toluene, N-methyl-2-pyrrolidone >500, dichloromethane >600, dimethylformamide 300-400, ethylene glycol <5, isopropanol, methanol 50-100 (all in g/L at 23 °C).

Is Fenazaquin hazardous?

Fenazaquin carries the following GHS hazard classifications: Toxic, Health Hazard, Hazardous to the Environment. Signal word: Danger.

What are other names for Fenazaquin?

Fenazaquin is also known as 120928-09-8, 4-((4-(1,1-Dimethylethyl)phenyl)ethoxy)quinazoline, 4-(2-(4-(1,1-Dimethylethyl)phenyl)ethoxy)quinazoline, 4-(2-(4-(TERT-BUTYL)PHENYL)ETHOXY)QUINAZOLINE, 4-(2-(4-tert-butylphenyl)ethoxy)quinazoline.

Data sourced from PubChem CID 86356. Last updated .

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