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81-32-3

Basic Information
CAS No.: 81-32-3
Name: perylene-3,4,9,10-tetracarboxylic acid
Article Data: 22
Molecular Structure:
Molecular Structure of 81-32-3 (perylene-3,4,9,10-tetracarboxylic acid)
Formula: C24H12O8
Molecular Weight: 428.354
Synonyms: 3,4,9,10-Tetracarboxyperylene;NSC 89768;
EINECS: 201-343-0
Density: 1.739 g/cm3
Boiling Point: 912.4 °C at 760 mmHg
Flash Point: 519.4 °C
PSA: 149.20000
LogP: 4.53000
Synthetic route
128-69-8

perylene-3,4,9,10-tetracarboxylic acid 3,4:9,10-dianhydride

81-32-3

perylene-3,4,9,10-tetracarboxylic acid

Conditions
ConditionsYield
With potassium hydroxide In water for 12h; Heating;99%
Stage #1: perylene-3,4,9,10-tetracarboxylic acid 3,4:9,10-dianhydride With potassium hydroxide In water at 20℃; for 6h;
Stage #2: With hydrogenchloride In water pH=Ca. 7;
80%
With sodium hydroxide
118153-98-3

1,6,7,12-tetrachloroperylene-3,4,9,10-tetracarboxylic acid

81-32-3

perylene-3,4,9,10-tetracarboxylic acid

Conditions
ConditionsYield
With potassium hydroxide In ethylene glycol at 155 - 160℃; for 4h;91%
107905-43-1

1,7-dibromoperylene-3,4,9,10-tetracarboxylic acid

81-32-3

perylene-3,4,9,10-tetracarboxylic acid

Conditions
ConditionsYield
With potassium hydroxide In ethylene glycol at 120℃; for 1h;82%

dibenzo[cd,lm]perylene-1,3,8,10-tetraone

81-32-3

perylene-3,4,9,10-tetracarboxylic acid

Conditions
ConditionsYield
With alkaline sodium hypochlorite
With chromium(III) oxide; sulfuric acid
857785-32-1

3,10-diamino-dibenzo[cd,lm]perylene-1,8-dione

81-32-3

perylene-3,4,9,10-tetracarboxylic acid

Conditions
ConditionsYield
With potassium permanganate; sulfuric acid at 20℃;
With sodium dichromate; sulfuric acid at 20℃;
38250-80-5

C32H18O

81-32-3

perylene-3,4,9,10-tetracarboxylic acid

Conditions
ConditionsYield
With nitric acid at 165 - 190℃;
21020-04-2

1-Benzoyloxy-peropyren

81-32-3

perylene-3,4,9,10-tetracarboxylic acid

Conditions
ConditionsYield
With nitric acid at 180 - 200℃;
7664-93-9

sulfuric acid

81-33-4

3,4,9,10-perylene tetracarboxyxlic acid diimide

81-32-3

perylene-3,4,9,10-tetracarboxylic acid

Conditions
ConditionsYield
at 200℃;
at 200℃;
perylene-tetracarboxylic acid-(3.4.9.10)-diimide

perylene-tetracarboxylic acid-(3.4.9.10)-diimide

81-32-3

perylene-3,4,9,10-tetracarboxylic acid

Conditions
ConditionsYield
With sulfuric acid at 200℃;
7664-93-9

sulfuric acid

857785-32-1

3,10-diamino-dibenzo[cd,lm]perylene-1,8-dione

permanganate

permanganate

81-32-3

perylene-3,4,9,10-tetracarboxylic acid

Conditions
ConditionsYield
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  • 3,4,9,10-Perylenetetracarboxylicacid  CAS NO.81-32-3

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Specification

The 3,4,9,10-Perylenetetracarboxylicacid, with the CAS registry number 81-32-3, is also known as tri-n-Propylamine. Its EINECS registry number is 201-343-0. This chemical's molecular formula is C24H12O8 and molecular weight is 428.34728. What's more, both its IUPAC name and systematic name are the same which is called Perylene-3,4,9,10-tetracarboxylic acid.

Physical properties about 3,4,9,10-Perylenetetracarboxylicacid are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.46; (4)ACD/LogD (pH 7.4): -2.68; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 105.2 Å2; (13)Index of Refraction: 1.939; (14)Molar Refractivity: 118.02 cm3; (15)Molar Volume: 246.2 cm3; (16)Surface Tension: 112.5 dyne/cm; (17)Density: 1.739 g/cm3; (18)Flash Point: 519.4 °C; (19) Enthalpy of Vaporization: 138.97 kJ/mol; (20)Boiling Point: 912.4 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of 3,4,9,10-Perylenetetracarboxylicacid: this chemical can be prepared by 1,6,7,12-Tetrachloroperylene-3,4,9,10-tetracarboxylic acid. This reaction needs reagent KOH and solvent Ethane-1,2-diol at temperature of 155 - 160 °C. The reaction time is 4 hours. The yield is 91 %.

3,4,9,10-Perylenetetracarboxylicacid can be prepared by 1,6,7,12-Tetrachloroperylene-3,4,9,10-tetracarboxylic acid

Uses of 3,4,9,10-Perylenetetracarboxylicacid: it is used to produce other chemicals. For example, it is used to produce Perylene. The reaction occurs with reagent KOH-solution at temperature of 250 °C and other condition of beim Erhitzen des Kaliumsalzes im Autoklaven.

3,4,9,10-Perylenetetracarboxylicacid is used to produce Perylene.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c3c5c2c(c1ccc(c4c1c(c2cc3)ccc4C(=O)O)C(=O)O)ccc5C(=O)O
(2) InChI: InChI=1/C24H12O8/c25-21(26)13-5-1-9-10-2-6-15(23(29)30)20-16(24(31)32)8-4-12(18(10)20)11-3-7-14(22(27)28)19(13)17(9)11/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
(3) InChIKey: FVDOBFPYBSDRKH-UHFFFAOYAV