Perylenediimide

HCID 66475
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Basic information

CAS
81-33-4
Standard SMILES
O=C1NC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)NC5=O
InChIKey
KJOLVZJFMDVPGB-UHFFFAOYSA-N
Molecular formula
C24H10N2O4
Average molar mass
390.3 g/mol
Monoisotopic mass
390.0640568

Overview

Perylenediimide is the 3,4,9,10-tetracarboxylic diimide derivative of perylene. It has a role as a fluorochrome. It is a dicarboximide and an organic heteropolycyclic compound.

Names & identifiers

Preferred name
Perylenediimide
IUPAC
7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
English name
3,4,9,10-Perylenetetracarboxylic diimide
Molecular formula
C24H10N2O4
Molecular weight
390.35

Names & synonyms

perylenediimideCHEBI:52753isoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetroneisoquino(4',5',6':6,5,10)anthra(2,1,9-def)isoquinoline-1,3,8,10(2H,9H)-tetroneRefChem:48579781-33-43,4,9,10-Perylenetetracarboxylic DiimidePerylimid3,4,9,10-Perylenetetracarboxylic acid diimidePerylene-3,4:9,10-tetracarboxydiimideMFCD00024144Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
Show more names
PTCDIPERYLENE-3,4,9,10-TETRACARBOXYLIC DIIMIDEPigment Violet 29PTCIPigment VC.I.71129Nsc 16842
63NLI8842Lanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone3,4,9,10-Perylenetetracarboxylic-diimideDTXSID9052555Anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetroneNSC-168423,4,9,10-Perylenetetracarboxylic 3,4:9,10-diimide

Database identifiers

CAS
81-33-4
PubChem CID
66475
DTXSID
DTXSID9052555
ChEBI
CHEBI:52753
UNII
63NLI8842L
EC Number
201-344-6
Nikkaji
J39.760A

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
92.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
30

Experimental & physicochemical properties

Polymers · 2 items

Plastics -> Polyolefin-I; PUR; Polyolefin-II; ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS

Plastics -> Pigments agents

Food Contact Substances · 2 items

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionLiquid; CBI

Physicochemical properties

Boiling point
821.4 · 821.4±61.0 °C(Predicted)
Density
1.68 · 1.680±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
solubility
Sulfuric Acid (Slightly)
pka
8.75 · 8.75±0.20(Predicted)
form
Powder

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 36.3% (62 of 171) of reports.

Warning

H373 (63.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P319, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 171 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 5 items

Chemical: Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone

Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

T - indicates a substance that is the subject of a final TSCA section 4 test rule.

Status: Active Update: 09-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/10330

Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSTOT RE 2 (63.7%)

Safety data

wgk
WGK 3
tsca
TSCA listed
hs_code
29337900
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
22-24/25

Chemistry & industry

Uses & manufacturing

UsesPlastics -> Typical concentration range in plastic materials -> 2%
U.S. Production2023: 500,000 - <1,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesPigment
Use Classification · 2 items

Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS

Plastics -> Pigments agents

General Manufacturing Information · 2 items

Paint and Coating Manufacturing

Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone: ACTIVE

Applications · 1 item

UsesUsed in chemical research. PTCDI is used extensively as an industrial pigment. It is used as tunable laser dye, light-harvesting material, transistor, molecular switched, solar cell, and optoelectronic device. Planar perylene- and naphthalene-based diimide linkers can be employed to tether the Watson- Crick and the Hoogsteen strands of a DNA triplex, thus providing conjugates capable of targeting singlestranded nucleic acids with the formation of hairpin triplexes.

Upstream & downstream products

Suppliers100 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
杭州奥得科技有限公司0571-88772972-0 15057128248 · [email protected]

Additional notes

DefinitionChEBI: The 3,4,9,10-tetracarboxylic diimide derivative of perylene.

Related reactions

1 records
New reaction record

Compound notes

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