기본 정보
- 표준 SMILES
Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c(C)c1- InChIKey
GUCYFKSBFREPBC-UHFFFAOYSA-N- 분자식
- C26H27O3P
- 평균 분자량
- 418.5 g/mol
- 단동위원소 질량
- 418.16978135
이름 및 식별자
- 우선 이름
- Bis-trimethylbenzoyl phenylphosphine oxide
- IUPAC
- [phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
- 현지명
- 메타논, 1,1'-(페닐포스핀일리덴)비스[1-(2,4,6-트라이메틸페닐)-
- 영어명
- Phenylbis(2,4,6-trimethylbenzoyl)phosphine oxide
- 분자식
- C26H27O3P
- 분자량
- 418.47
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
162881-26-7- PubChem CID
- 164512
- DTXSID
DTXSID8044597- ChEMBL
CHEMBL3182971- UNII
- JOV61FMS35
- EC Number
- 423-340-5、605-307-9
- Nikkaji
- J1.013.677F
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 51.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 610
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 131 · 131-135 °C(lit.)
- 끓는 점
- 590 · 590.0±60.0 °C(Predicted)
- 밀도
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 20℃
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 아세톤, 아세토니트릴, 톨루엔 및 헥산디올디아크릴레이트: 용해성
- 물리적 상태
- 가루
- 색상
- 연한 노란색에서 노란색까지
- 수용성
- 100 μg/L · 100μg/L at 20-21℃
- 화장품 원료 기능
- 광안정기
- InChI
- InChI=1S/C26H27O3P/c1-16-12-18(3)23(19(4)13-16)25(27)30(29,22-10-8-7-9-11-22)26(28)24-20(5)14-17(2)15-21(24)6/h7-15H,1-6H3
- InChIKey
- GUCYFKSBFREPBC-UHFFFAOYSA-N
- SMILES
- P(C1C=CC=CC=1)(=O)(C(C1C(=CC(C)=CC=1C)C)=O)C(C1C(=CC(C)=CC=1C)C)=O
- LogP
- 5.77 · 5.77-5.8 at 22℃
- EPA
- Phosphine oxide, phenylbis(2,4,6-trimethylbenzoyl)- (162881-26-7)
안전 및 규제
GHS 분류
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.1% (1 of 776) of reports.
Warning
H317 (99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
유해성 정보
Regulatory Information
Chemical: Methanone, 1,1â²-(phenylphosphinylidene)bis[1-(2,4,6-trimethylphenyl)-
Methanone, 1,1'-(phenylphosphinylidene)bis[1-(2,4,6-trimethylphenyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methanone, 1,1'-(phenylphosphinylidene)bis[1-(2,4,6-trimethylphenyl)- 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.
Status: Active Update: 11-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11625
Phosphine oxide, phenylbis(2,4,6-trimethylbenzoyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Sens. 1 (99.9%)
Skin Sens. 1 (99.8%)
Skin sensitisation - category 1A
Skin sensitization - Category 1A
Skin Sens. 1A
안전 데이터
- wgk
- -
- tsca
- TSCA listed
- HS 번호
- 29319090
- risk_code
- 43-53
- hazard_code
- Xi
- safety_code
- 22-24-37-61
- 기존화학 물질
- 97-3-613
- Hazard Classifications
- Aquatic Chronic 4Skin Sens. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing Information
Adhesive Manufacturing
Methanone, 1,1'-(phenylphosphinylidene)bis[1-(2,4,6-trimethylphenyl)-: ACTIVE
응용 분야
용도Phenylbis(2,4,6-trimethylbenzoyl)phosphine oxide is a useful research chemical compound.
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
정의Phenylbis(2,4,6-trimethylbenzoyl)phosphine oxide (PPO) has a local absorption maximum in the visible spectrum at 405 nm and could provide sufficient initiating radicals to crosslink polyamic diacrylate ester in NMP[1]. Phenylbis(2,4,6-trimethylbenzoyl)phosphine oxide (GR-XBPO) could be used as the reductant, and Monoethanolamine as the oxygen inhibition agent. After UV irradiation, oxygen-containing groups (OCGs) on the graphene oxide (GO) plane and edges are largely removed due to the reduction of GO by free radicals generated by photoinitiator decomposition[2].
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