기본 정보
- CAS
10149-98-1- 표준 SMILES
O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1- InChIKey
ZDISUHHECSVSMD-UHFFFAOYSA-N- 분자식
- C18H16N4O12S3
- 평균 분자량
- 576.5 g/mol
- 단동위원소 질량
- 575.99268548
이름 및 식별자
- 우선 이름
- 4,5-Dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
- IUPAC
- 5-oxo-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
- 영어명
- 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
- 분자식
- C18H16N4O12S3
- 분자량
- 576.53
이름 및 동의어
10149-98-14,5-Dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid4,5-Dihydro-5-oxo-4-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acidRefChem:2854304,5-Dihydro-5-oxo-4-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acidEINECS 233-418-9ZDISUHHECSVSMD-UHFFFAOYSA-N5-oxo-4-[[4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acidDTXSID5010240821H-Pyrazole-3-carboxylicacid,4,5-dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-(4-sulfophenyl)-4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-
이름 더 보기
4,5-Dihydro-4-[4-[2-(sulfooxy)ethylsulfonyl]phenylazo]-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
물성
구조 계산 물성
- XLogP
- -0.1
- 극성 표면적
- 272 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,250
물리화학적 성질
- 끓는 점
- 898.95 ℃[at · 898.95℃[at 101 325 Pa]
- 밀도
- 1.83 · 1.83[at 20℃]
- 증기압
- 0 Pa · 0Pa at 25℃
- 산도 계수 (pKa)
- -3.9 · -3.90±0.18(Predicted)
- 수용성
- 349 mg/L · 349mg/L at 25℃
- LogP
- 1.83 at · 1.83 at 25℃
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1-(4-sulfophenyl)-
REACH registered substance: 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (EC: 233-418-9)
Other Safety InformationIMAP assessments - 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1-(4-sulfophenyl)-: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 3 (100%)
안전 데이터
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H412
화학 및 산업
공급사2 곳
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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