4,4'-Diamino-1,1'-bianthracene-9,9',10,10'-tetrone

Basic Information

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CAS Number

4051-63-2

Molecular Formula

C28H16N2O4

Molecular Weight

444.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

356-358 ºC

SMILES

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O=C1C2=C(C=CC=C2)C(C3=C(N)C=CC(C(C=CC(N)=C4C(C5=C6C=CC=C5)=O)=C4C6=O)=C13)=O

InChI

InChI=1S/C28H16N2O4/c29-19-11-9-13(21-23(19)27(33)17-7-3-1-5-15(17)25(21)31)14-10-12-20(30)24-22(14)26(32)16-6-2-4-8-18(16)28(24)34/h1-12H,29-30H2

InChIKey

KNMQFBWXSICVQC-UHFFFAOYSA-N

LogP

4.068800000000001

Topological Polar Surface Area

120.32 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Pigment Red 177
C.I. 65300
4,4'-diamino-[1,1'-bianthracene]-9,9',10,10'-tetraone
1,1-Bianthracene-9,9,10,10-tetrone, 4,4-diamino-
ANTHRAQUINONE RED
Pigment red 177 (C.I. 65300)
Fast Red A3B
C.I. Pigment Red 177
4,4'-Diamino-1,1'-bianthraquinone
4,4'-Diamino-1,1'-bianthraquinonyl
4,4'-Diamino-1,1'-dianthrquinonyl
Cromophtal Red A-3B
Permanent Red A3B

MDL Number

MFCD00997121

Customs Code

2922399090

FAQ

What are the physical and chemical properties of 4,4'-Diamino-1,1'-bianthracene-9,9',10,10'-tetrone (CAS: 4051-63-2)?

4,4'-Diamino-1,1'-bianthracene-9,9',10,10'-tetrone (CAS: 4051-63-2) is a crystalline compound with a high molecular weight. It has a low solubility in water but is more soluble in organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). Chemically, it is highly reactive, particularly towards electrophilic aromatic substitution reactions. It exhibits strong electronic properties suitable for applications in organic electronics and photovoltaics.

How is 4,4'-Diamino-1,1'-bianthracene-9,9',10,10'-tetrone (CAS: 4051-63-2) typically synthesized?

4,4'-Diamino-1,1'-bianthracene-9,9',10,10'-tetrone (CAS: 4051-63-2) is typically synthesized through a series of steps involving the condensation of anthracene derivatives followed by aromatic diazonium coupling and reduction. Common catalysts include palladium and platinum complexes. The reaction conditions are carefully controlled to achieve high selectivity and yield.

What industries use 4,4'-Diamino-1,1'-bianthracene-9,9',10,10'-tetrone (CAS: 4051-63-2)?

4,4'-Diamino-1,1'-bianthracene-9,9',10,10'-tetrone (CAS: 4051-63-2) is used in various industries, including pharmaceuticals for developing organic dyes and pigments, polymers for electronic applications, sensors for detecting specific chemicals, and semiconductors in organic light-emitting diodes (OLEDs). Its unique electronic properties make it valuable in these fields.

What precautions should be taken when handling 4,4'-Diamino-1,1'-bianthracene-9,9',10,10'-tetrone (CAS: 4051-63-2)?

When handling 4,4'-Diamino-1,1'-bianthracene-9,9',10,10'-tetrone (CAS: 4051-63-2), wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Use a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate containment materials, and the area should be well-ventilated. Refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency response procedures.