기본 정보
- 표준 SMILES
O=C1N=C(c2ccc(Cl)cc2)c2c(O)[nH]c(-c3ccc(Cl)cc3)c21- InChIKey
JNNHVXMCVRYTTN-UHFFFAOYSA-N- 분자식
- C18H10Cl2N2O2
- 평균 분자량
- 357.2 g/mol
이름 및 식별자
- 우선 이름
- Pigment Red 254
- IUPAC
- 1,4-bis(4-chlorophenyl)-3-hydroxy-2H-pyrrolo[3,4-c]pyrrol-6-one
- 현지명
- 3,6-비스(4-클로로페닐)-2,5-다이하이드로피롤로(3,4-C)피롤레-1,4-디온
- 영어명
- Pigment Red 254
- 분자식
- C18H10Cl2N2O2
- 분자량
- 357.19
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
84632-65-5- PubChem CID
- 174375
- DTXSID
DTXSID5044736- UNII
- WGL0620LJ9
- EC Number
- 401-540-3、602-733-7、617-603-5
- Nikkaji
- J134.979A
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 65.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 525
실험 및 물리화학적 성질
Polymers
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); ABS; PVC (rigid); PET; PMMA; PA; PC; (E)PS
Plastics -> Pigments agents
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
물리화학적 성질
- 끓는 점
- 672.5 · 672.5±55.0 °C(Predicted)
- 밀도
- 1.57 · 1.57
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 10 in · 10 in mg/100g standard fat at 20 ℃
- 물리적 상태
- powder to crystaline
- 산도 계수 (pKa)
- 8.46 · 8.46±0.60(Predicted)
- 색상
- Red to Dark red to Brown
- 수용성
- 400 · 400-30000ng/L at 20-23℃
- Henry's Law Constant
- 3.4 · 3.4×109 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- InChI
- InChI=1S/C18H10Cl2N2O2/c19-11-5-1-9(2-6-11)15-13-14(18(24)21-15)16(22-17(13)23)10-3-7-12(20)8-4-10/h1-8H,(H,21,24)(H,22,23)
- InChIKey
- JNNHVXMCVRYTTN-UHFFFAOYSA-N
- SMILES
- N1C(C2=CC=C(Cl)C=C2)=C2C(=O)NC(C3=CC=C(Cl)C=C3)=C2C1=O
- LogP
- 2.4 · 2.4-3 at 20℃
- EPA
- 3 · Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(4-chlorophenyl)-2,5-dihydro- (84632-65-5)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (278 of 278) of all reports.
Not Classified
Aggregated GHS information provided per 278 reports by companies from 1 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 100% (239 of 239) of all reports.
Not Classified
Aggregated GHS information provided per 239 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6- bis(4-chlorophenyl)-2,5-dihydro-
Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(4-chlorophenyl)-2,5-dihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(4-chlorophenyl)-2,5-dihydro- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 3,6-bis(4-chlorophenyl)-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione (EC: 401-540-3)
Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(4-chlorophenyl)-2,5-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Not Classified
Not Classified
Not Classified
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2933.99.8290
- 기존화학 물질
- KE-07995
화학 및 산업
용도 및 제조
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
Printing Ink Manufacturing
Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis(4-chlorophenyl)-2,5-dihydro-: ACTIVE
응용 분야
용도3,6-Bis(4-chlorophenyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione is Pigment Red 254; used in preparation method of high-performance polyurethane waterborne waterproof coating.
상·하류 제품 정보
하류 제품
공급사50 곳
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