3,4,9,10-ペリレンテトラカルボン酸二無水物
3,4,9,10-Perylenetetracarboxylic dianhydride
基本情報
- CAS
128-69-8- 標準SMILES
O=C1OC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)OC5=O- InChIKey
CLYVDMAATCIVBF-UHFFFAOYSA-N- 分子式
- C24H8O6
- 平均分子量
- 392.3 g/mol
- 単同位体質量
- 392.03208797
名称と識別子
- 優先名称
- 3,4,9,10-Perylenetetracarboxylic dianhydride
- IUPAC
- 7,18-dioxaheptacyclo[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二無水物
- 英語名
- 3,4,9,10-Perylenetetracarboxylic dianhydride
- 分子式
- C24H8O6
- 分子量
- 392.32
名称と別名
128-69-83,4,9,10-Perylenetetracarboxylic dianhydridePerylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetronePerylo(3,4-cd:9,10-c'd')dipyran-1,3,8,10-tetrone3,4:9,10-Perylenetetracarboxylic anhydride3,4,9,10-Perylenetetracarboxylic 3,4:9,10-dianhydrideDTXSID1059577PTCDA cpdRefChem:90972DTXCID1033901PTCDAPerylene-3,4,9,10-tetracarboxylic dianhydride
名称をさらに表示
3,4,9,10-ペリレンテトラカルボン酸二無水物ペリロ[3,4-cd:9,10-c'd']ジピラン-1,3,8,10-テトラオンペリレン-3,4,9,10-テトラカルボン酸3,4:9,10-ビス無水物ペリレン-3,4,9,10-テトラカルボン酸二無水物ペリレン-3,4,9,10-テトラカルボン酸3,4:9,10-二無水物ペリレン-3,4,9,10-テトラカルボン酸-3,4:9,10-二無水物ピグメントレッド2243,4,9,10-ペリレンテトラカルボン酸3,4:9,10-ジ無水物C.I.ピグメントレッド2241,3,8,10-テトラヒドロペリロ[3,4-cd:9,10-c'd']ジピラン-1,3,8,10-テトラオン3,4,9,10-ペリレンテトラカルボン酸-3,4:9,10-二無水物3,4,9,10-ペリレンテトラカルボン酸3,4:9,10-二無水物3,4,9,10-ペリレンテトラカルボン酸3,4:9,10-ビス無水物ペリレンテトラカルボン酸二無水物ペリレン-3,4:9,10-テトラカルボン酸二無水物1,3,8,10-テトラヒドロ-2,9-ジオキサジベンゾ[cd,lm]ペリレン-1,3,8,10-テトラオンペリレン-3,4,9,10-テトラカルボン酸3,4:9,10-ジ無水物ペリレンテトラカルボン酸ジアンヒドリド1H,8H-2,9-ジオキサジベンゾ[cd,lm]ペリレン-1,3,8,10-テトラオン二無水3,4,9,10-ペリレンテトラカルボン酸PIGMENT RED 224
データベース識別子
- CAS
128-69-8- PubChem CID
- 67191
- DTXSID
DTXSID1059577- UNII
- NH27FW2PET
- EC Number
- 204-905-3
- Nikkaji
- J22A
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 86.7 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 6
- 回転可能結合数
- 0
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 730
実験および物理化学的性質
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Endocrine DisruptorsPotential endocrine disrupting compound
Physical Description
CBI
Dark red powder; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 300 °C · >300 °C(lit.)
- 沸点
- 477.07 °C · 477.07°C (rough estimate)
- 比重(密度)
- 1.3306 · 1.3306 (rough estimate)
- 屈折率
- 1.52 · 1.5200 (estimate)
- 闪点
- 400 °C · >400°C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 0.87 g/リットル · 0.87g/リットル
- 外見
- 粉
- 色
- 暗赤色
- PH
- 6 · 6-7 (1g/l, H2O, 20℃)
- 水溶解度
- 不溶性
- BRN
- 57831 · 57831
- InChI
- 1S/C24H8O6/c25-21-13-5-1-9-10-2-6-15-20-16(24(28)30-23(15)27)8-4-12(18(10)20)11-3-7-14(22(26)29-21)19(13)17(9)11/h1-8H
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 74.1% (160 of 216) of all reports.
Warning
H315 (24.1%): Causes skin irritation [Warning Skin corrosion/irritation]
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 216 reports by companies from 8 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: Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone
Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-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)
REACH registered substance: Perylene-3,4:9,10-tetracarboxylic dianhydride (EC: 204-905-3)
Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See ACID ANHYDRIDES. See Perylene.
Hazard Classes and CategoriesSkin Irrit. 2 (24.1%)
安全データ
- F
- 10-21
- wgk
- 3
- tsca
- TSCA listed
- 毒性
- LD50 orally in Rabbit: > 10000 mg/kg
- hs_code
- 29173980
化学と産業
用途と製造
UsesUsed to make perylene pigments; [ExPub: CPS&Q - Summary Fact Sheet]
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesPigment
Industry UsesPigment
General Manufacturing Information
Plastics Product Manufacturing
Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone: ACTIVE
応用分野
使用3,4,9,10-Perylenetetracarboxylic dianhydride is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals. It is mainly used in air dried and baking enamels, epoxy, polyurethane and polyester based paints. It is also used in printing inks for bank and security documents.
一般的な説明Perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA) is a perylene derivative which forms highly crystalline films and dyes that can be used for a majority of electronic and opto-electronic applications. It provides a high electron mobility due to its low intermolecular distance which results in π-π conjugation.
上流・下流製品情報
上流原料
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