기본 정보
- CAS
474510-57-1- 표준 SMILES
CC(C)(O)C(=O)c1ccc(Cc2ccc(C(=O)C(C)(C)O)cc2)cc1- InChIKey
PCKZAVNWRLEHIP-UHFFFAOYSA-N- 분자식
- C21H24O4
- 평균 분자량
- 340.4 g/mol
- 단동위원소 질량
- 340.16745925
개요
See other relationships...
이름 및 식별자
- 우선 이름
- Bis(4-(2-hydroxy-2-methylpropionyl)phenyl)methane
- IUPAC
- 2-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-one
- 영어명
- 1,1'-(Methylene-di-4,1-phenylene)bis[2-hydroxy-2-methyl-1-propanone]
- 분자식
- C21H24O4
- 분자량
- 340.41
이름 및 동의어
Irgacure 127IZJ9BVRDO72-Hydroxy-1-(4-(4-(2-hydroxy-2-methylpropionyl)benzyl)phenyl)-2-methylpropan-1-oneEC 444-860-9Bis(4-(2-hydroxy-2-methylpropionyl)phenyl)methane1-Propanone, 1,1'-(methylene-di-4,1-phenylene)bis[2-hydroxy-2-methyl-1-PROPANONE, 1,1'-(METHYLENE-DI-4,1-PHENYLENE)BIS(2-HYDROXY-2-METHYL-Bis[4-(2-hydroxy-2-methylpropionyl)phenyl]methaneRefChem:568870444-860-9474510-57-11,1'-(Methylene-di-4,1-phenylene)bis[2-hydroxy-2-methyl-1-propanone]
이름 더 보기
Omnirad 127DPI-127OMNIRAD 127photoinitiator 127former IRGACURE 1271,1'-(Methylene-di-4,1-phenylene)bis[2-hydroxy-2-methyl-1-propanone
1,1'-(Methylenebis(4,1-phenylene))bis(2-hydroxy-2-methylpropan-1-one)MFCD166211052-hydroxy-1-[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl]phenyl]-2-methylpropan-1-oneDTXSID406215911,1'-[Methylenebis(4,1-phenylene)]bis(2-hydroxy-2-methyl-1-propanone)1,1'-[Methylenedi(4,1-phenylene)]bis(2-hydroxy-2-methylpropan-1-one)2-hydroxy-1-(4-{[4-(2-hydroxy-2-methylpropanoyl)phenyl]methyl}phenyl)-2-methylpropan-1-one1,1'-[Methylenebis(4,1-phenylene)]bis(2-hydroxy-2-methylpropan-1-one)
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 434
물리화학적 성질
- 녹는점
- 91.3 · 91.3-92.0 °C
- 끓는 점
- 525.6 · 525.6±50.0 °C(Predicted)
- 밀도
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.577 · 1.577
- 인화점
- 285 oC · 285 oC
- 산도 계수 (pKa)
- 12.61 · 12.61±0.29(Predicted)
- 물리적 상태
- solid
- 색상
- White to yellow
- 수용성
- 9.9 mg/L · 9.9mg/L at 20℃
- InChI
- InChI=1S/C21H24O4/c1-20(2,24)18(22)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(23)21(3,4)25/h5-12,24-25H,13H2,1-4H3
- InChIKey
- PCKZAVNWRLEHIP-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(C(=O)C(O)(C)C)C=C1)C1=CC=C(C(=O)C(O)(C)C)C=C1
- LogP
- 2.3 at · 2.3 at 25℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P273, P319, P391, and P501 (click each P-code to see the statement)
Warning
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P273, P319, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 1-Propanone, 1,1'-(methylene-di-4,1-phenylene)bis[2-hydroxy-2-methyl-
REACH registered substance: 2-hydroxy-1-(4-(4-(2-hydroxy-2-methylpropionyl)benzyl)phenyl)-2-methylpropan-1-one (EC: 444-860-9)
1-Propanone, 1,1'-(methylene-di-4,1-phenylene)bis[2-hydroxy-2-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
STOT RE 2 (100%)
Specific target organ toxicity (repeated exposure) - category 2
STOT RE 2 *
안전 데이터
- 기존화학 물질
- 2005-3-3040
화학 및 산업
응용 분야
용도Irgacure 127 is a difunctional radical photoinitiator. It has been used as an initiator in the preparation and characterization of molecularly imprinted polymers based on thiourea receptors for nitro compound recognition.
상·하류 제품 정보
상류 원료
하류 제품
공급사72 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
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