基本情報
- CAS
5521-31-3- 標準SMILES
CN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C)C5=O- InChIKey
PJQYNUFEEZFYIS-UHFFFAOYSA-N- 分子式
- C26H14N2O4
- 平均分子量
- 418.4 g/mol
- 単同位体質量
- 418.09535693
名称と識別子
- 優先名称
- 2,9-dimethylanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone
- IUPAC
- 7,18-dimethyl-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
- 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
- 英語名
- Pigment Red 179
- 分子式
- C26H14N2O4
- 分子量
- 418.4
名称と別名
2,9-Dimethylanthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone2,9-dimethylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2h,9h)-tetroneAnthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl-Anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl-226-866-1RefChem:4465445521-31-3Perylene BordeauxPaliogen Maroon 3920C.I.Vat Red 23MePTCPalanthrene Red GG
名称をさらに表示
2,9-ジメチル-2,9-ジアザジベンゾ[cd,lm]ペリレン-1,3,8,10-テトラオン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-1,3(2H),8,10(9H)-テトラオンパリオゲンマルーン39202,9-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-1,3,8,10-テトラオンC.I.バットレッド23インダントレンレッドGGパリオゲンマルーンL-4020スレンレッドGGN,N'-ジメチル-3,4:9,10-ペリレンビス(ジカルボイミド)N,N'-ジメチル3,4:9,10-ペリレンビス(ジカルボイミド)トレンレッドGG
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 74.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 0
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 789
実験および物理化学的性質
Polymers
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Plastics -> Pigments agents
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionCBI; Liquid
物理化学的性質
- 融点
- 400 °C · >400°C
- 沸点
- 694.8 · 694.8±28.0 °C(Predicted)
- 比重(密度)
- 1.594 · 1.594±0.06 g/cm3(Predicted)
- 貯蔵温度
- Store at room temperature
- 酸解離定数(Pka)
- -2.29 · -2.29±0.20(Predicted)
- 外見
- 粉
- 色
- Orange to Brown to Dark purple
- 水溶解度
- 5.5 μg/L · 5.5μg/L at 23℃
- 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
- SMILES
- C1(=O)C2=C3C4C(C5=CC=C6C7=C5C(C=4C=C2)=CC=C7C(=O)N(C)C6=O)=CC=C3C(=O)N1C
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 39.5% (101 of 256) of reports.
Warning
H315 (16.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 256 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl-
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl- 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, 2,9-dimethyl- 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)
REACH registered substance: 2,9-dimethylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone (EC: 226-866-1)
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (16.4%)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CB1590000
- hs_code
- 2925.19.4200
- risk_code
- 36/37/38
- 化審法
- (5)-1112, (5)-3278
化学と産業
用途と製造
UsesPlastics -> Typical concentration range in plastic materials -> 2%
U.S. Production2023: 400,000 - <550,000 lb
Consumer UsesPigment
Industry UsesPigment
Use Classification
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Plastics -> Pigments agents
General Manufacturing Information
Plastics Product Manufacturing
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-dimethyl-: ACTIVE
応用分野
使用Me-PTCDI can be used in the preparation of the hole transporting layers (HTLs), which can further be utilized in the fabrication of perovskite photovoltaic (PPV) cells.
一般的な説明N,N′-Dimethyl-3,4,9,10-perylenedicarboximide (Me-PTCDI) is a perylene derivative that can be used as a thermally stable material in the development of an n-type semiconductor device. It has the capacity to have an ordered growth on a variety of substrates. Its conductivity with respect to the frequency tends to increase at different temperatures.
上流・下流製品情報
上流原料
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