기본 정보
- CAS
27969-56-8- 표준 SMILES
CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)\C1=C/C=C/C=C/c1c(C)[nH]n(-c2ccc(S(=O)(=O)O)cc2)c1=O- InChIKey
TZTOFZIBLYUIGG-GSLHRLMQSA-N- 분자식
- C25H22N4O8S2
- 평균 분자량
- 570.6 g/mol
- 단동위원소 질량
- 570.08790602
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-
- IUPAC
- 4-[5-methyl-4-[(1E,3E,5Z)-5-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]penta-1,3-dienyl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
- 현지명
- OXONOL805파란색
- 영어명
- OXONOL 805 BLUE
- 분자식
- C25H22N4O8S2
- 분자량
- 570.59
이름 및 동의어
Benzenesulfonic acid, 4-(4,5-dihydro-4-(5-(5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)-2,4-pentadienylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-Benzenesulfonic acid, 4-(4,5-dihydro-4-(5-(5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl)-2,4-pentadien-1-ylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)-Benzenesulfonic acid, 4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-Benzenesulfonic acid, 4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadienylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-RefChem:564458EINECS 248-752-0SCHEMBL4635386D91809p-(4,5-Dihydro-4-(5-(5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl)penta-2,4-dienylidene)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acidOXONOL805파란색OXONOL 805 BLUE1,5-PENTAMETHIN-4,4'-BIS[1-(P-SULFOPHENYL)-3-METHYL-5-PYRAZOLONE]
이름 더 보기
4-pentadienylidene]-3-methyl-5-oxo-1h-pyrazol-1-yl]--1h-pyrazol-4-yl]-
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 191 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,370
물리화학적 성질
- 밀도
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.76 · -1.76±0.50(Predicted)
- EPA
- 4 · Benzenesulfonic acid, 4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadienylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]- (27969-56-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Benzenesulfonic acid, 4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadienylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenesulfonic acid, 4-[4,5-dihydro-4-[5-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2,4-pentadien-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-: ACTIVE
공급사19 곳
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…