基本情報
- CAS
4948-15-6- 標準SMILES
Cc1cc(C)cc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2cc(C)cc(C)c2)C6=O)c1- InChIKey
FDXVHZCFTCIKDD-UHFFFAOYSA-N- 分子式
- C40H26N2O4
- 平均分子量
- 598.6 g/mol
- 単同位体質量
- 598.18925731
名称と識別子
- 優先名称
- Pigment Red 149
- IUPAC
- 7,18-bis(3,5-dimethylphenyl)-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
- N,N'-ビス(3,5-ジメチルフェニル)ペリレン-3,4:9,10-ビス(ジカルボイミド)
- 英語名
- Pigment Red 149
- 分子式
- C40H26N2O4
- 分子量
- 598.65
名称と別名
EINECS 225-590-9UNII-ZZA8XO3AWAZZA8XO3AWA2,9-Bis(3,5-dimethylphenyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetroneDTXSID4052130EC 225-590-92,9-bis(3,5-dimethylphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2h,9h)-tetrone2,9-Bis(3,5-dimethylphenyl)anthra(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-bis(3,5-dimethylphenyl)-Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-RefChem:174228DTXCID2030699
名称をさらに表示
N,N'-ビス(3,5-ジメチルフェニル)-3,4:9,10-ペリレンビスジカルボイミド2,9-ビス(3,5-ジメチルフェニル)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N,N'-ビス(3,5-ジメチルフェニル)-3,4:9,10-ペリレンビス(ジカルボイミド)C.I.ピグメントレッド149N,N'-ビス(3,5-ジメチルフェニル)ペリレン-3,4:9,10-ビス(ジカルボイミド)N,N'-ビス(3,5-キシリル)ペリレン-3,4:9,10-ビス(ジカルボイミド)2,9-ビス(3,5-ジメチルフェニル)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-テトラオン
物性
構造計算による物性
- XLogP
- 8.3
- 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
- 2
- 重原子数
- 46
- 形式電荷
- 0
- 複雑度
- 1,130
実験および物理化学的性質
Polymers
Plastics -> Pigments agents
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical DescriptionCBI; Dry Powder
物理化学的性質
- 融点
- 200 · 200-201 °C
- 比重(密度)
- 1.439 · 1.439±0.06 g/cm3(Predicted)
- 貯蔵温度
- Room Temperature
- 溶解性
- 水性酸（わずかに、加熱、超音波処理）、DMSO（わずかに、加熱、超音波処理）、
- 酸解離定数(Pka)
- 3.09 · 3.09±0.20(Predicted)
- 外見
- 個体
- 色
- 赤から非常に濃い赤
- 水溶解度
- 1.4 μg/L · 1.4μg/L at 23℃
- InChIKey
- FDXVHZCFTCIKDD-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C3C4C(C5=CC=C6C7=C5C(C=4C=C2)=CC=C7C(=O)N(C2=CC(C)=CC(C)=C2)C6=O)=CC=C3C(=O)N1C1=CC(C)=CC(C)=C1
- LogP
- 0.13 at · 0.13 at 23℃
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 58.9% (245 of 416) of all reports.
Warning
H373 (40.9%): 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 416 reports by companies from 5 notifications to the ECHA C&L Inventory.
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-bis(3,5-dimethylphenyl)-
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)- 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-bis(3,5-dimethylphenyl)- 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-bis(3,5-dimethylphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone (EC: 225-590-9)
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSTOT RE 2 (40.9%)
安全データ
- tsca
- TSCA listed
- hs_code
- 3204.17.9025
- 化審法
- (5)-3266, (5)-4071
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
UsesPlastics -> Typical concentration range in plastic materials -> 2%
U.S. Production2023: 50,000 - <75,000 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 Material and Resin Manufacturing
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-: ACTIVE
応用分野
使用Pigment red 149 (CAS# 4948-15-6) is a perylenediimide dye, and has been proposed for use as cost-efficient cathodes for lithium ion batteries. Pigment red 149 has also been implemented as a doping agent for poly(styrene-co-maleimide) nanoparticles for use as bioprobes for biotinylated antibodies.
上流・下流製品情報
上流原料
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