2,2,4-Trimethyl-1,2-dihydroquinoline

Inquiry

Molecular Formula:

C12H15N

Molecular Weight:

173.25

CAS Number:

147-47-7

Catalog Number:

147-47-7

Product Information

Molecular Formula:

C12H15N

Molecular Weight:

173.25

Description

Stability: Light SensitiveApplications: 1,2-Dihydro-2,2,4-trimethylquinoline is used as an antioxidant in styrene-butadiene and nitrile-butadiene rubbers and latexes. It was selected for evaluation because it is a derivative of quinoline, a known rodent carcinogen, and was regarded as having potential carcinogenic activity.

Synonyms

2,2,4-trimethyl-1H-quinoline; 2,2,4-trimethyl-1H-quinoline

IUPAC Name

2,2,4-trimethyl-1H-quinoline

Canonical SMILES

CC1=CC(NC2=CC=CC=C12)(C)C

InChI

InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3

InChI Key

ZNRLMGFXSPUZNR-UHFFFAOYSA-N

Boiling Point

293.92 ℃ (rough estimate)

Melting Point

120 ℃

Flash Point

214 °F

Density

1.0215 (rou gh estimate)

Solubility

less than 0.1 mg/mL at 66 °F

Appearance

Dark yellow to very dark brown oil

Application

Used as a monomer; The polymer is a rubber antioxidant.

Storage

Amber Vial, Refrigerator, Under inert atmosphere

Refractive Index

1.5680 (estimate)

LogP

3.43200

Decomposition

Disaster hazard: see quinoline. Dangerous; when heated to decomposition it emits toxic fumes of /nitrogen oxides /quinoline

Safety Information

Hazards

H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H371:
May cause damage to organs.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P305:
IF IN EYES:
P338:
Remove contact lenses if present and easy to do. Continue rinsing.
P351:
Rinse cautiously with water for several minutes.

Signal Word

Warning

Computed Properties

XLogP3

2.8

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

173.120449483 g/mol

Monoisotopic Mass

173.120449483 g/mol

Topological Polar Surface Area

12Å²

Heavy Atom Count

Formal Charge

Complexity

227

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-114044987-A	Oil-resistant ethylene propylene insulating material	2021-12-28
CN-113980357-A	Functionalized graphene, preparation method thereof and application of functionalized graphene in rubber base plate	2021-12-27
CN-114106448-A	Soft low-smoke halogen-free sheath material for wind power cable	2021-12-21
CN-114163700-A	Radiation-resistant nitrile rubber material for sealing nuclear power plant and preparation method thereof	2021-12-18
CN-114133639-A	Preparation method of high-hardness sealing rubber material containing trans-butyl-pentyl rubber	2021-12-17
CN-114058008-A	Process for preparing semi-aromatic polyamides end-capped with monocarboxylic acids, semi-aromatic polyamides and molding compositions	2021-12-13
CN-114058009-A	Process for preparing semi-aromatic polyamides with reduced loss of diamine monomer, semi-aromatic polyamides and molding compositions	2021-12-13
CN-114058010-A	Process for preparing low-energy semiaromatic polyamides, semiaromatic polyamides and moulding compositions	2021-12-13
CN-114133559-A	Process for preparing semiaromatic polyamides with reduced salt formation cycle, semiaromatic polyamides and moulding compositions	2021-12-13
CN-114133560-A	Process for preparing semiaromatic polyamides with improved impact strength, semiaromatic polyamides and moulding compositions	2021-12-13

Literatures

PMID	Publication Date	Title	Journal
21886894	2011-07-01	Neglected disease - african sleeping sickness: recent synthetic and modeling advances	Scientia pharmaceutica
21240646	2011-03-01	The mystery of the discolored flints. New molecules turn prehistoric lithic artifacts blue	Analytical and bioanalytical chemistry
20047276	2010-02-11	Antitrypanosomal activity of 1,2-dihydroquinolin-6-ols and their ester derivatives	Journal of medicinal chemistry
15156773	2004-01-01	[Teratogenic effect of rubber components]	Medycyna pracy
14667000	2003-08-01	Maternal-fetal distribution and prenatal toxicity of 2,2,4-trimethyl-1,2-dihydroquinoline in the rat	Birth defects research. Part B, Developmental and reproductive toxicology

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