3-Hydroxy-4-(2-(2-methyl-5-((1-methylethoxy)carbonyl)phenyl)diazenyl)-2-naphthalenecarboxylic acid
기본 정보
- CAS
83487-95-0- 표준 SMILES
Cc1ccc(C(=O)OC(C)C)cc1N=Nc1c(O)c(C(=O)O)cc2ccccc12- InChIKey
PUXFWKDBUFGVKA-UHFFFAOYSA-N- 분자식
- C22H20N2O5
- 평균 분자량
- 392.4 g/mol
- 단동위원소 질량
- 392.13722174
이름 및 식별자
- 우선 이름
- 3-Hydroxy-4-(2-(2-methyl-5-((1-methylethoxy)carbonyl)phenyl)diazenyl)-2-naphthalenecarboxylic acid
- IUPAC
- 3-hydroxy-4-[(2-methyl-5-propan-2-yloxycarbonylphenyl)diazenyl]naphthalene-2-carboxylic acid
- 영어명
- 3-hydroxy-4-[[2-methyl-5-[(1-methylethoxy)carbonyl]phenyl]azo]-2-naphthoic acid
- 분자식
- C22H20N2O5
- 분자량
- 392.41
이름 및 동의어
83487-95-03-Hydroxy-4-[2-[2-methyl-5-[(1-methylethoxy)carbonyl]phenyl]diazenyl]-2-naphthalenecarboxylic acid3-Hydroxy-4-(2-(2-methyl-5-((1-methylethoxy)carbonyl)phenyl)diazenyl)-2-naphthalenecarboxylic acidRefChem:279850EINECS 280-458-83-Hydroxy-4-((2-methyl-5-((1-methylethoxy)carbonyl)phenyl)azo)-2-naphthoic acidSCHEMBL13995664PUXFWKDBUFGVKA-UHFFFAOYSA-NDTXSID001114735NS000590223-Hydroxy-4-[(2-methyl-5-{[(propan-2-yl)oxy]carbonyl}phenyl)diazenyl]naphthalene-2-carboxylic acid3-hydroxy-4-[[2-methyl-5-[(1-methylethoxy)carbonyl]phenyl]azo]-2-naphthoic acid
이름 더 보기
3-Hydroxy-4-[[2-methyl-5-[(1-methylethoxy)carbonyl]phenyl]azo]-2-naphthalenecarboxylic acid
데이터베이스 식별자
- CAS
83487-95-0- PubChem CID
- 3019193
- DTXSID
DTXSID001114735- EC Number
- 280-458-8
- Nikkaji
- J326.806C
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 622
실험 및 물리화학적 성질
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 605.164 · 605.164±55.00 °C(Press: 760.00 Torr)(predicted)
- 밀도
- 1.293 · 1.293±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- 2.631 · 2.631±0.30(predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationREACH registered substance: 3-hydroxy-4-[[2-methyl-5-[(1-methylethoxy)carbonyl]phenyl]azo]-2-naphthoic acid (EC: 280-458-8)
Hazard Classes and CategoriesNot Classified
관련 반응
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