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

CAS：81-32-3
MW:428.352
MF：C24H12O8

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Names and ldentifier
Properties
Msds
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: perylene-3,4,9,10-tetracarboxylic acid

1.2 Synonyms: 3,4,9,10-Perylenetetracarboxylic acid; 3,4,9,10-Tetracarboxyperylene; NSC 89768; perylene-3,4,9,10-tetracarboxylic acid;

1.3 CAS No.: 81-32-3

1.4 CID: 66474

1.5 EINECS: 201-343-0

1.6 Molecular Formula: C24H12O8

1.7 Inchi: InChI=1S/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)

1.8 InChkey: FVDOBFPYBSDRKH-UHFFFAOYSA-N

1.9 Canonical Smiles: C1=CC(=C2C(=CC=C3C2=C1C4=C5C3=CC=C(C5=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O

1.10 Isomers Smiles: C1=CC(=C2C(=CC=C3C2=C1C4=C5C3=CC=C(C5=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O

2. Properties

2.1 pKa: 2.17±0.30(Predicted)

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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4. Synthesis Route

81-32-3Total: 8 Synthesis Route

128-69-8 101 Suppliers

81-32-3 6 Suppliers

21020-04-2

81-32-3 6 Suppliers

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5. Precursor and Product

precursor:

128-69-8

118129-58-1

118153-98-3

81-33-4

857785-32-1

107905-43-1

21020-04-2

product:

128-69-8

52000-75-6

81-33-4

128-65-4

2379-77-3

198-55-0

6. Computed Properties

Molecular Weight：428.352g/mol
Molecular Formula：C₂₄H₁₂O₈
Compound Is Canonicalized：True
Exact Mass：3.9
XLogP3-AA：428.05321734
Monoisotopic Mass：428.05321734
Complexity：706
Rotatable Bond Count：4
Hydrogen Bond Donor Count：4
Hydrogen Bond Acceptor Count：8
Topological Polar Surface Area：149
Heavy Atom Count：：32
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccB4PAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGDAAAAAADBVAAAGgAACAAADACAmAAwCMAAAgCIAiDSCAACAAAkAAAIiAEACMgIJjKAFBCAcQAkwAEImYeI7vCOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

7. Toltal 5 Suppliers View more

Hangzhou ZeErRui Chemical Co., Ltd.

^1YR

Tel: Update Time:2024/03/12

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Hangzhou Tianye chemicals Co., Ltd

^1YR

Tel: Update Time:2024/10/22

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Antimex Chemical Limied

Tel: Update Time:2019/02/24

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MENGNA

Tel: Update Time:2019/02/25

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Shandong Sochili Biological Technology Co., Ltd.

Tel: Update Time:2019/04/01

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8. Realated Product Infomation