2-(2,4-Dihydroxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine

HCID 74276CAS 1668-53-7

기본 정보

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 물성

XLogP: 5.7
극성 표면적: 79.1 Å²
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

GHS 분류

GHS Classification · 4건

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 · 2건

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 · 2건

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

1,3-Benzenediol, 4,4'-[6-(2,4-dimethylphenyl)-1,3,5-triazine-2,4-diyl]bis-1,3,5-Triazine, 2,4,6-tris(2,4-dimethylphenyl)-2-[4,6-비스(2,4-디메틸페닐)-1,3,5-트리아진-2-일]-5-(옥틸옥시)페놀

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]

陕西缔都新材料有限公司81124267 17392282731 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

연결된 노트

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