3,4,9,10-Perylenetetracarboxylic dianhydride (HCID 67191)

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 224Per acidPerylene-3,4,9,10-tetracarboxylic acid dianhydride3,4,9,10-PERYLENETETRACARBOXYLIC 3,4,9,10-DIANHYDRIDEPeryLS1089LT-S920

anthra[2,1,9-def:6,5,10-d'e'f']diisochromene-1,3,8,10-tetraonePerylenetetracarboxylic anhydridePerylenetetracarboxylic acid dianhydrideC24H8O6Irgazin Red BPTMFCD00006916NSC 79895NH27FW2PET

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 Å²
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

Physical Description · 2 件

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
InChIKey: CLYVDMAATCIVBF-UHFFFAOYSA-N
SMILES: O1C(=O)c2c3c4c(c5c6c(c4cc2)ccc7c6c(cc5)C(=O)OC7=O)ccc3C1=O
CAS データベース: 128 · 128-69-8(CAS DataBase Reference)
NISTの化学物質情報: 3 · 3,4,9,10-Perylenetetracarboxylic dianhydride(128-69-8)
EPAの化学物質情報: 3 · Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone (128-69-8)

化学的性質

化学的特性dark red powder

安全と法規制

GHS分類

GHS Classification · 6 件

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]；H319 (24.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (23.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Reported as not meeting GHS hazard criteria per 160 of 216 reports by companies.；There are 6 notifications provided by 56 of 216 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory Information · 4 件

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)

Status: Active Update: 12-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11837；Status: Active Update: 25-10-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12592

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%)；Eye Irrit. 2 (24.1%)；STOT SE 3 (23.6%)

法規制情報

Regulatory Information · 4 件

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)

Status: Active Update: 12-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11837；Status: Active Update: 25-10-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12592

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

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
risk_code: 36/37/38
化審法: (9)-2398, (4)-1307
hazard_code: Xi
safety_code: 26-36
ストレージクラス: 11 - Combustible Solids

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；2022: 50,000 - <250,000 lb；2021: 50,000 - <250,000 lb；2020: <50,000 lb

Consumer UsesPigment

Industry UsesPigment

General Manufacturing Information · 2 件

Plastics Product Manufacturing；Paint and Coating Manufacturing

Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone: ACTIVE

応用分野 · 2 件

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.