CAS 81-33-4 Perylenediimide (HCID 66475)

概要

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.

名称と識別子

優先名称: 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
現地名: 3,4,9,10-ペリレンテトラカルボン酸ジイミド
英語名: 3,4,9,10-Perylenetetracarboxylic diimide
分子式: C24H10N2O4
分子量: 390.35

名称と別名

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

名称をさらに表示

3,4,9,10-ペリレンテトラカルボン酸ジイミドペリレン-3,4:9,10-テトラカルボン酸ビスイミドペリレン-3,4:9,10-ビス(ジカルボイミド)C.I.ピグメントブラウン262,9-ジヒドロアントラ[2,1,9-def:6,5,10-d'e'f']ジイソキノリン-1,3,8,10-テトラオンペリレン-3,4:9,10-ジジカルボイミドペリレンカルボキシジイミドペリレン-3,4:9,10-ビスジカルボイミド3,4:9,10-ペリレンビス(ジカルボイミド)アントラ[2,1,9-def:6,5,10-d'e'f']ジイソキノリン1(2H),3,8(9H),10-テトラオンアントラ[2,1,9-def:6,5,10-d'e'f']ジイソキノリン-1(2H),3,8(9H),10-テトラオンアントラ[2,1,9-def:6,5,10-d'e'f']ジイソキノリン-1,3,8,10(2H,9H)-テトラオン3,4:9,10-ペリレンビスジカルボイミドペリレン-3，4，9，10-ジ（ジカルボニルイミド）3,4,9,10-ペリレンテトラカルボキシルジイミド3,4,9,10-ペリレンテトラカルボキシジイミドアントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1,3,8,10(2H,9H)-テトラオン2,9-ジヒドロアントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1,3,8,10-テトラオンアントラ[2,1,9-def:6,5,10-d′e′f′]ジイソキノリン-1(2H),3,8(9H),10-テトラオンペリレンビスイミド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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.3
極性表面積: 92.3 Å²
水素結合供与体数: 2
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 30
形式電荷: 0
複雑度: 735

実験および物理化学的性質

Polymers · 2 件

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

Plastics -> Pigments agents

Food Contact Substances · 2 件

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

Physical DescriptionLiquid; CBI

物理化学的性質

沸点: 821.4 · 821.4±61.0 °C(Predicted)
比重(密度): 1.68 · 1.680±0.06 g/cm3(Predicted)
貯蔵温度: Inert atmosphere,Room Temperature
溶解性: 硫酸（微量）
酸解離定数(Pka): 8.75 · 8.75±0.20(Predicted)
外見: 粉
色: 紫から非常に濃い紫
水溶解度: 水に不溶。
InChI: InChI=1S/C24H10N2O4/c27-21-13-5-1-9-10-2-6-15-20-16(24(30)26-23(15)29)8-4-12(18(10)20)11-3-7-14(22(28)25-21)19(13)17(9)11/h1-8H,(H,25,27,28)(H,26,29,30)
InChIKey: KJOLVZJFMDVPGB-UHFFFAOYSA-N
SMILES: C1(=O)C2=C3C4C(C5=CC=C6C7=C5C(C=4C=C2)=CC=C7C(=O)NC6=O)=CC=C3C(=O)N1
CAS データベース: 81 · 81-33-4(CAS DataBase Reference)
EPAの化学物質情報: 2 · Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone (81-33-4)

化学的性質

化学的特性Dark yellow red to black solid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Regulatory Information · 5 件

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%)

安全データ

wgk: WGK 3
tsca: TSCA listed
hs_code: 29337900
化審法: (5)-1111, (5)-3326, (5)-5211
safety_code: 22-24/25
Hazard Classifications: STOT RE 2
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

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 件

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

Plastics -> Pigments agents

General Manufacturing Information · 2 件

Paint and Coating Manufacturing

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

応用分野 · 1 件

使用Used 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.

上流・下流製品情報

下流製品

2,9-ジメチルアントラ[2,1,9-def:6,5,10-d'e'f']ジイソキノリン-1(2H),3,8(9H),10-テトラオン 2,9-ビス(4-メトキシフェニル)アントラ[2,1,9-def:6,5,10-d'e'f']ジイソキノリン-1,3,8,10(2H,9H)-テトラオン 3,9-ペリレンジカルボン酸 3,4,9,10-ペリレンテトラカルボン酸 2,9-ジメチルアントラ[2,1,9-def:6,5,10-d'e'f']ジイソキノリン-1(2H),3,8(9H),10-テトラオン

サプライヤー100 社

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]

補足説明

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

化合物ノート

読み込み中…

3,4,9,10-ペリレンテトラカルボン酸ジイミド

基本情報

概要