기본 정보
- CAS
599-66-6- 표준 SMILES
Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
WEAYCYAIVOIUMG-UHFFFAOYSA-N- 분자식
- C14H14O2S
- 평균 분자량
- 246.33 g/mol
- 단동위원소 질량
- 246.07145069
이름 및 식별자
- 우선 이름
- Benzene, 1,1'-sulfonylbis(4-methyl-
- IUPAC
- 1-methyl-4-(4-methylphenyl)sulfonylbenzene
- 영어명
- Di-p-tolyl sulfone
- 분자식
- C14H14O2S
- 분자량
- 246.32
이름 및 동의어
Di-p-tolyl sulfone599-66-6benzene, 1,1'-sulfonylbis[4-methyl-Bis(p-tolyl) sulfone1,1'-sulfonylbis(4-methylbenzene)Benzene, 1,1'-sulfonylbis(4-methyl-EINECS 209-969-6AI3-32580DTXSID50605181,1'-Sulfonylbis[4-methylbenzene]pTolyl sulfoneDiptolyl sulphone
이름 더 보기
Bis(4-methylphenyl) sulfoneNSC 208JACS-599-66-6P-TOLYL SULFONEMixed sulfone TSdi-p-tolylsulphoneo/p-Xylene sulfone4,4’-DitolylsulfoneBis(4-tolyl)sulfone
Sulfone, diptolylp,p'Ditolyl sulfone4,4'Ditolyl sulfonepTolyl sulfone (8CI)RefChem:117285Bis(4methylphenyl) sulfone4,4'DimethyldiphenylsulfoneBis(4methylphenyl) sulphone
데이터베이스 식별자
- CAS
599-66-6- PubChem CID
- 69030
- DTXSID
DTXSID5060518- ChEMBL
CHEMBL220009- UNII
- MMK3ZM7GGJ
- EC Number
- 209-969-6
- Nikkaji
- J43.532E
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 42.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 298
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Sulfur Compounds
SpringerMaterials PropertiesChemical shift
Physical DescriptionWhite solid; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 158 · 158-160 °C(lit.)
- 끓는 점
- 359.33 °C · 359.33°C (rough estimate)
- 밀도
- 1.2052 · 1.2052 (rough estimate)
- 굴절률
- 1.52 · 1.5200 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 25 mg/mL, · 클로로포름: 용해성25mg/mL, 투명, 무색~노란색
- 물리적 상태
- solid
- InChI
- 1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
- InChIKey
- WEAYCYAIVOIUMG-UHFFFAOYSA-N
- SMILES
- Cc1ccc(cc1)S(=O)(=O)c2ccc(C)cc2
- EPA
- 1 · Benzene, 1,1'-sulfonylbis[4-methyl- (599-66-6)
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 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationBenzene, 1,1'-sulfonylbis[4-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.
Hazards SummarySee Diphenyl sulfone and Dipropyl sulfone.
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- safety_code
- 22-24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzene, 1,1'-sulfonylbis[4-methyl-: ACTIVE
응용 분야
용도4,4''-Ditolyl Sulfone is used in preparation method of OLED material for improving luminous efficiency.
일반 설명Di-p-tolyl sulfone is a di-p-substituted diaryl sulfone. Its synthesis by the sulfonylation of toluene with p-toluenesulfonic acid (TsOH) in the presence of polystyrene supported aluminium triflate (Ps-Al(OTf)3) catalyst has been reported along with its NMR and IR spectra. The gas-phase heats of formation of di-p-tolyl sulfone has been studied. The kinetics and thermodynamics of sulphuric acid assisted cleavage of di-p-tolyl sulfone has been invesitigated.
상·하류 제품 정보
하류 제품
공급사88 곳
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