2,9-Dimethylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone | CAS No. 5521-31-3

Q: What precautions should be taken when handling 2,9-Dimethylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone (CAS: 5521-31-3)?

When handling 2,9-Dimethylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone, safety precautions include wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be handled using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed spill procedures.

2,9-Dimethylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone

Basic Information

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CAS Number

5521-31-3

Molecular Formula

C26H14N2O4

Molecular Weight

418.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

>400 °C

Boiling Point

694.8°Cat760mmHg

Density

1.594

Flash Point

341.1°C

Refractive Index

1.904

SMILES

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O=C1N(C(C2=CC=C(C3=C4C=CC1=C23)C5=CC=C6C(N(C(C7=CC=C4C5=C76)=O)C)=O)=O)C

InChI

InChI=1S/C26H14N2O4/c1-27-23(29)15-7-3-11-13-5-9-17-22-18(26(32)28(2)25(17)31)10-6-14(20(13)22)12-4-8-16(24(27)30)21(15)19(11)12/h3-10H,1-2H3

InChIKey

PJQYNUFEEZFYIS-UHFFFAOYSA-N

LogP

4.188800000000003

Topological Polar Surface Area

74.76 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

789

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

Synonyms & References

English

Pigment Red 179
C.I71130
anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2h,9h)-tetrone, 2,9-dime
2,9-dimethylanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2h,9h )-te
trone
anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2h,9h)-tetrone, 2,9-dime
c.i. 71130
c.i. pigment red 179
c.i. vat red 23
caledon red 2gn
hostaperm red p 2gl
indanthren red gg
palanthrene red gg
paliogen maroon 3920
paliogen maroon l 3920
paliogen maroon l 4020
paliogen red 4120
perylene bordeaux
perylene maroon
4:9,10-diimide, n,n'-dimethyl-perylenetetracarboxylic
pigment bordeaux perylene
ponsol red yf
variogen maroon 3920
1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2h,9h)-tetrone,2,9-dimethyl-anthra
vat red 23
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone,2,9-dimethyl-
1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl-Anthra[2
N,N'-Dimethyl-3,4,9,10-perylenetetracarboxylic Diimide
N, N′-Dimethyl-3,4,9,10-perylenedicarboximide
<i>N<
i>,<i>N<

MDL Number

MFCD00071975

FAQ

What are the physical and chemical properties of 2,9-Dimethylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone (CAS: 5521-31-3)?

2,9-Dimethylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone is a crystalline solid with a molecular weight of approximately 586.5 g/mol. It has low solubility in water but good solubility in organic solvents such as dichloromethane and acetonitrile. This compound exhibits moderate reactivity with electrophiles and is known for its stability under acidic conditions.

How is 2,9-Dimethylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone (CAS: 5521-31-3) typically synthesized?

2,9-Dimethylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone is commonly synthesized via a multi-step process involving key reactions such as Friedel-Crafts alkylation and cyclization. The synthesis typically requires the use of a Lewis acid catalyst, such as aluminum chloride, and proceeds with high selectivity and moderate to good yield.

What industries use 2,9-Dimethylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone (CAS: 5521-31-3)?

2,9-Dimethylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone is used in the pharmaceutical industry for the development of novel drugs, particularly in the treatment of neurological disorders. It also has potential applications in the polymer and sensor industries due to its unique chemical structure and reactivity.

What precautions should be taken when handling 2,9-Dimethylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone (CAS: 5521-31-3)?

When handling 2,9-Dimethylisoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone, safety precautions include wearing appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure. Spills should be handled using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed spill procedures.