기본 정보
- CAS
4948-15-6- 표준 SMILES
Cc1cc(C)cc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2cc(C)cc(C)c2)C6=O)c1- InChIKey
FDXVHZCFTCIKDD-UHFFFAOYSA-N- 분자식
- C40H26N2O4
- 평균 분자량
- 598.6 g/mol
- 단동위원소 질량
- 598.18925731
이름 및 식별자
- 우선 이름
- Pigment Red 149
- IUPAC
- 7,18-bis(3,5-dimethylphenyl)-7,18-diazaheptacyclo[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 149
- 영어명
- Pigment Red 149
- 분자식
- C40H26N2O4
- 분자량
- 598.65
이름 및 동의어
EINECS 225-590-9UNII-ZZA8XO3AWAZZA8XO3AWA2,9-Bis(3,5-dimethylphenyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetroneDTXSID4052130EC 225-590-92,9-bis(3,5-dimethylphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2h,9h)-tetrone2,9-Bis(3,5-dimethylphenyl)anthra(2,1,9-def:6,5,10-d',e',f')diisoquinoline-1,3,8,10(2H,9H)-tetroneAnthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-RefChem:174228DTXCID2030699
이름 더 보기
C.I.색소적색149C.I.색소적색149피그먼트레드149K3580PR-149C.I. 71137Pigment Red BPERYLENE RED BLpigment red 149PigMent red 149(perylene red S-0722)S-0722)N,N'-Bis(3,5-xylyl)perylene-3,4:9,10-bis(dicarbimide)Pirimicarb Impurity 9 ( n-desethyl-pirimiphos-methyl)
물성
구조 계산 물성
- XLogP
- 8.3
- 극성 표면적
- 74.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,130
실험 및 물리화학적 성질
Polymers
Plastics -> Pigments agents
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical DescriptionCBI; Dry Powder
물리화학적 성질
- 녹는점
- 200 · 200-201 °C
- 밀도
- 1.439 · 1.439±0.06 g/cm3(Predicted)
- 저장 조건
- Room Temperature
- 용해도
- 산성 용액(약간 용해됨, 가열, 초음파 처리), DMSO(약간 용해됨, 가열, 초음파 처리),
- 산도 계수 (pKa)
- 3.09 · 3.09±0.20(Predicted)
- 물리적 상태
- 고체
- 색상
- 빨간색에서 매우 어두운 빨간색까지
- 수용성
- 1.4 μg/L · 1.4μg/L at 23℃
- InChIKey
- FDXVHZCFTCIKDD-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C3C4C(C5=CC=C6C7=C5C(C=4C=C2)=CC=C7C(=O)N(C2=CC(C)=CC(C)=C2)C6=O)=CC=C3C(=O)N1C1=CC(C)=CC(C)=C1
- LogP
- 0.13 at · 0.13 at 23℃
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 58.9% (245 of 416) of all reports.
Warning
H373 (40.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P319, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 416 reports by companies from 5 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)- 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: 2,9-bis(3,5-dimethylphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone (EC: 225-590-9)
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSTOT RE 2 (40.9%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 3204.17.9025
- 기존화학 물질
- KE-07963
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
UsesPlastics -> Typical concentration range in plastic materials -> 2%
U.S. Production2023: 50,000 - <75,000 lb
Consumer UsesPigment
Industry UsesPigment
Use Classification
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Plastics -> Pigments agents
General Manufacturing Information
Plastics Material and Resin Manufacturing
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-: ACTIVE
응용 분야
용도Pigment red 149 (CAS# 4948-15-6) is a perylenediimide dye, and has been proposed for use as cost-efficient cathodes for lithium ion batteries. Pigment red 149 has also been implemented as a doping agent for poly(styrene-co-maleimide) nanoparticles for use as bioprobes for biotinylated antibodies.
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