CAS 2455-14-3 3,3′,5,5′-Tetra-tert-butyl-4,4′-diphenoquinone (HCID 225283)

기본 정보

CAS: 2455-14-3
표준 SMILES: CC(C)(C)C1=CC(=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O
InChIKey: GQIGHOCYKUBBOE-UHFFFAOYSA-N
분자식: C28H40O2
평균 분자량: 408.626 g/mol
단동위원소 질량: 408.30283052

이름 및 식별자

우선 이름: 3,3′,5,5′-Tetra-tert-butyl-4,4′-diphenoquinone
IUPAC: 3,3',5,5'-Tetra-tert-butyl[1,1'-bi(cyclohexa-2,5-dien-1-ylidene)]-4,4'-dione
현지명: 3,3',5,5'-테트라-tert-부틸디페노퀴논
영어명: 3,3',5,5'-Tetra-tert-butyldiphenoquinone
분자식: C28H40O2
분자량: 408.62

이름 및 동의어

3,3',5,5'-테트라-tert-부틸디페노퀴논3,3',5,5'-Tetra-tert-butyl-[1,1'-bi(cyclohexylidene)]-2,2',5,5'-tetraene-4,4'-dione2,2',6,6'-Tetra-tert-butyldiphenoquinoneRARECHEM BW GC 0005Probucol impurity ATetrabutyldiphenoquinone3,3',5,5'-Tetra-tert-butyL3,3',5,5'-Tetra-tert-butyldipheProbucol USP Related Compound AProbuco USP related Substance A2,2',6,6'-Tetra-tert-butyldiphenoqu

데이터베이스 식별자

CAS: 2455-14-3
PubChem CID: 225283
DTXSID: DTXSID10179291
ChEBI: CHEBI:230271
UNII: 4M92Z38Q9A
EC Number: 219-527-4
Nikkaji: J128.903I

물성

물리화학적 성질

녹는점: 242 · 242-244°C
끓는 점: 492.6 · 492.6±45.0 °C(Predicted)
밀도: 1.024 · 1.024±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
용해도: soluble in Tetrahydrofuran
물리적 상태: powder to crystal
색상: Red to Dark blue to Black
BRN: 1916759 · 1916759
InChI: InChI=1S/C28H40O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16H,1-12H3
InChIKey: GQIGHOCYKUBBOE-UHFFFAOYSA-N
SMILES: C1(=O)C(C(C)(C)C)=C/C(=C2/C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C/2)/C=C1C(C)(C)C

안전 및 규제

안전 데이터

HS 번호: 2914699000
safety_code: 22-24/25

화학 및 산업

응용 분야

용도Tetra-tert-butyldiphenoquinone is an antioxident used in the prevention of aging/rusting in dyes, rubber and textiles. Metabolite of Probucol (P755100) an antilipemic. Probucol USP Related Compound A.