2-(2,4-Dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
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기본 정보
- CAS
1668-53-7- 표준 SMILES
Cc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(O)cc3O)n2)c(C)c1- InChIKey
FROCQMFXPIROOK-UHFFFAOYSA-N- 분자식
- C25H23N3O2
- 평균 분자량
- 397.5 g/mol
- 단동위원소 질량
- 397.17902698
이름 및 식별자
- 우선 이름
- 2-(2,4-Dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine
- IUPAC
- 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol
- 영어명
- 3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1
- 분자식
- C25H23N3O2
- 분자량
- 397.47
이름 및 동의어
2-(2,4-dihydroxyphenyl)-4,6-bis(2,4-dimethylPhenyl)-1,3,5-triazine1,3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1,3-Benzenediol, 4-(4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-RefChem:451992622-570-51668-53-74-(4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)benzene-1,3-diol4-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1,3-Benzenediol4-[4,6-Bis(2,4-dimethylphenyl)-5H-s-triazin-2-ylidene]-3-hydroxy-cyclohexa-2,5-dien-1-one4-[4,6-BIS(2,4-DIMETHYLPHENYL)-1,3,5-TRIAZIN-2-YL]BENZENE-1,3-DIOLMFCD162511253-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-1
이름 더 보기
UV-107UV-1168Doxepin for system suitability CRS3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-...4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-3-benzenediol3-benzenediol,4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]
DBDTSCHEMBL39158DTXSID6061866SCHEMBL15271297SCHEMBL29350280AKOS015901678AS-74306SY055341
데이터베이스 식별자
- CAS
1668-53-7- PubChem CID
- 74276
- DTXSID
DTXSID6061866- EC Number
- 622-570-5
- Nikkaji
- J1.605.349J
물성
구조 계산 물성보충 중
- XLogP
- 5.7
- 극성 표면적
- 79.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 527
실험 및 물리화학적 성질
Physical DescriptionDry Powder
물리화학적 성질
- 녹는점
- 203 to · 203.0 to 207.0 °C
- 끓는 점
- 659.1 · 659.1±65.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- soluble in Dimethylformamide
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 8.58 · 8.58±0.40(Predicted)
- 색상
- White to Light yellow to Light orange
- InChI
- InChI=1S/C25H23N3O2/c1-14-5-8-19(16(3)11-14)23-26-24(20-9-6-15(2)12-17(20)4)28-25(27-23)21-10-7-18(29)13-22(21)30/h5-13,29-30H,1-4H3
- InChIKey
- FROCQMFXPIROOK-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(C2=NC(C3=CC=C(C)C=C3C)=NC(C3=CC=C(C)C=C3C)=N2)C(O)=C1
- EPA
- 1 · 1,3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]- (1668-53-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
1,3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]- 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.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- tsca
- TSCA listed
- HS 번호
- 2933.69.6050
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1,3-Benzenediol, 4-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-: ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
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