기본 정보
- 표준 SMILES
O=C1OC(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)OC5=O- InChIKey
CLYVDMAATCIVBF-UHFFFAOYSA-N- 분자식
- C24H8O6
- 평균 분자량
- 392.3 g/mol
- 단동위원소 질량
- 392.03208797
이름 및 식별자
- 우선 이름
- 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
- 현지명
- C.I. 색소 적색 224
- 영어명
- 3,4,9,10-Perylenetetracarboxylic dianhydride
- 분자식
- C24H8O6
- 분자량
- 392.32
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
128-69-8- PubChem CID
- 67191
- DTXSID
DTXSID1059577- UNII
- NH27FW2PET
- EC Number
- 204-905-3
- Nikkaji
- J22A
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 86.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 730
실험 및 물리화학적 성질
Physical Description
CBI
Dark red powder; [Sigma-Aldrich MSDS]
물리화학적 성질
- 녹는점
- 300 °C · >300 °C(lit.)
- 끓는 점
- 477.07 °C · 477.07°C (rough estimate)
- 밀도
- 1.3306 · 1.3306 (rough estimate)
- 굴절률
- 1.52 · 1.5200 (estimate)
- 인화점
- 400 °C · >400°C
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 0.87 g/L · 0.87g/L
- 물리적 상태
- 가루
- 색상
- 진한 빨간색
- 수소이온지수(pH)
- 6 · 6-7 (1g/l, H2O, 20℃)
- 수용성
- 불용성
- 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
- NIST
- 3 · 3,4,9,10-Perylenetetracarboxylic dianhydride(128-69-8)
- EPA
- 3 · 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
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];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.
유해성 정보
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)
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
규제 정보
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)
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
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 독성
- LD50 orally in Rabbit: > 10000 mg/kg
- HS 번호
- 29173980
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-07989
- F 고인화성물질
- 10-21
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information
Plastics Product Manufacturing;Paint and Coating Manufacturing
Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone: ACTIVE
응용 분야
용도3,4,9,10-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 설명Perylene-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.
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