C.I. 색소 적색 224
C.I.색소적색224 · PTCDA · PERYLENE-3,4,9,10-TETRACARBOXYLIC DIANHYDRIDE · anthra[2,1,9-def:6,5,10-d'e'f']diisochromene-1,3,8,10-tetraone · PIGMENT RED 224 · Per acid · Perylene-3,4,9,10-tetracarboxylic acid dianhydride · 3,4,9,10-PERYLENETETRACARBOXYLIC 3,4,9,10-DIANHYDRIDE
식별자 및 물리적 특성
| CAS No. | 128-69-8 |
|---|---|
| 분자식 | C24H8O6 |
| 평균 분자량 | 392.3 g/mol |
| 단동위원소 질량 | 392.03208797 g/mol |
| SMILES | O=C1OC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)OC5=O |
| InChIKey | CLYVDMAATCIVBF-UHFFFAOYSA-N |
| PubChem CID | 67191 |
| EC No. | 204-905-3 |
| DTXSID | DTXSID1059577 |
| 현지명 | C.I. 색소 적색 224 |
화학 및 물리적 성질
| XLogP | 4.5 |
|---|---|
| 극성 표면적 | 86.7 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 6 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 30 |
| 형식 전하 | 0 |
| 복잡도 | 730 |
| Physical Description | CBIDark red powder[Sigma-Aldrich MSDS] |
| 녹는점 | >300 °C(lit.) |
| 끓는 점 | 477.07°C (rough estimate) |
| 밀도 | 1.3306 (rough estimate) |
| 굴절률 | 1.5200 (estimate) |
| 인화점 | >400°C |
| 저장 조건 | Store below +30°C. |
| 용해도 | 0.87g/L |
| 물리적 상태 | 가루 |
| 색상 | 진한 빨간색 |
| pH | 6-7 (1g/l, H2O, 20℃) |
| 용해도 | 불용성 |
| BRN | 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 |
| NIST | 3,4,9,10-Perylenetetracarboxylic dianhydride(128-69-8) |
| EPA | Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone (128-69-8) |
화학적 성질
dark red powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 74.1% (160 of 216) of all reports.WarningH315 (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 exposureRespiratory 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. |
|---|---|
| 규제 정보 | Chemical: Perylo[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-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/11837Status: Active Update: 25-10-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/12592Perylo[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 |
| 유해성 요약 | A skin and strong eye irritant[Sigma-Aldrich MSDS] See ACID ANHYDRIDES. See Perylene. |
| Hazard Classes and Categories | Skin Irrit. 2 (24.1%)Eye Irrit. 2 (24.1%)STOT SE 3 (23.6%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 독성 | LD50 orally in Rabbit: > 10000 mg/kg |
| 관세 코드 | 29173980 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 기존화학 물질 | KE-07989 |
| F 고인화성물질 | 10-21 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
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.
일반 설명
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.