C.I. 색소 적색 224
3,4,9,10-Perylenetetracarboxylic dianhydride
기본 정보
- CAS
128-69-8- 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
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
이름 더 보기
C.I.색소적색224C.I.색소적색224PIGMENT 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 dianhydrideIrgazin Red BPTMFCD00006916NSC 79895NH27FW2PET7,18-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
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
PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
Endocrine DisruptorsPotential endocrine disrupting compound
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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
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]
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.
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)
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%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- 독성
- LD50 orally in Rabbit: > 10000 mg/kg
- HS 번호
- 29173980
- risk_code
- 36/37/38
화학 및 산업
용도 및 제조
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
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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