4,4'-Bis(diethylamino)benzophenone

Inquiry

Molecular Formula:

C21H28N2O

Molecular Weight:

324.46

CAS Number:

90-93-7

Catalog Number:

90-93-7

Product Information

Molecular Formula:

C21H28N2O

Molecular Weight:

324.46

Description

4,4'-Bis(diethylamino)benzophenone is a vital compound extensively employed in the biomedical industry for its diverse applications. Known to possess excellent photochemical properties, 4,4'-Bis(diethylamino)benzophenone acts as a crucial photosensitizer in photodynamic therapy (PDT) for treating various cancers, including skin, lung, and breast cancer. It efficiently combines with oxygen to generate reactive oxygen species, inducing cell death and inhibiting tumor growth.

Synonyms

ETHYL MICHLER'S KETONE; 4,4'-DIETHYLAMINOBENZOPHENONE; 4,4-BIS(DIETHYLAMINO) BENZOPHENONE; 4,4'-BIS(DIETHYLAMINO)BENZOPHENONE; MICHLER ETHYLKETONE; MICHLER'S ETHYL KETONE; P,P'-TETRAETHYLDIAMINOBENZOPHENONE; N,N,N',N'-TETRAETHYL-4,4'-DIAMINOBENZOPHENONE

IUPAC Name

bis[4-(diethylamino)phenyl]methanone

Canonical SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(CC)CC

InChI

InChI=1S/C21H28N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16H,5-8H2,1-4H3

InChI Key

VYHBFRJRBHMIQZ-UHFFFAOYSA-N

Boiling Point

419-420 °C(lit.)

Melting Point

94 °C

Flash Point

303.8 °F

Purity

>90.0%(T)

Density

1.048 g/cm3

Appearance

YELLOW TO YELLOW-GREEN CRYSTALLINE GRANULES

Safety Information

Hazards

H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H410:
Very toxic to aquatic life with long-lasting effects.

Precautionary Statement

P264:
Wash thoroughly after handling.
P273:
Avoid release to the environment.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P391:
Collect spillage.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3

5.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

324.220163521 g/mol

Monoisotopic Mass

324.220163521 g/mol

Topological Polar Surface Area

23.6Å²

Heavy Atom Count

Formal Charge

Complexity

326

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-114058198-A	Composition for packaging OLED, packaging film layer and OLED display	2022-01-07
JP-3236461-U	Photosensitive resin composition for sandblasting	2021-12-21
JP-2022040133-A	A photosensitive coloring composition for a color filter for a solid-state image sensor, a color filter, and a solid-state image sensor using the same.	2021-12-15
JP-2022043096-A	Resin composition, method for manufacturing cured relief pattern, and semiconductor device	2021-12-01
CN-114010836-A	Hemostatic dressing and preparation method thereof	2021-11-29
CN-114114837-A	Dry film resist and preparation method thereof	2021-11-25
CN-114141896-A	Composite material for front plate or back plate of photovoltaic module and preparation method and application thereof	2021-11-24
JP-2022031758-A	A photosensitive resin composition, a photosensitive film using the photosensitive resin composition, a method for forming a resist pattern, and a printed wiring board.	2021-11-19
JP-2022019789-A	Shape control device	2021-11-17
CN-113896694-A	Polyfunctional group hybrid epoxy compound and photo-thermal dual-curing resin composition as well as preparation method and application thereof	2021-11-16

Literatures

PMID	Publication Date	Title	Journal
19437724	2009-03-03	Three-dimensional biodegradable structures fabricated by two-photon polymerization	Langmuir : the ACS journal of surfaces and colloids
18369292	2008-04-01	Conformations of substituted benzophenones	Acta crystallographica. Section B, Structural science
16862986	2006-06-01	[Migration of bisphenol A and benzophenones from paper and paperboard products used in contact with food]	Shokuhin eiseigaku zasshi. Journal of the Food Hygienic Society of Japan
16115986	2005-09-01	Barium hydroxide lime turns yellow after desiccation	Anesthesia and analgesia
15962942	2005-06-01	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology
15207384	2004-08-01	Chemical analysis and genotoxicological safety assessment of paper and paperboard used for food packaging	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association

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