기본 정보
- 표준 SMILES
O=C1c2cc(O)ccc2-c2ccc(O)cc21- InChIKey
CWHPQXRTQSNTRR-UHFFFAOYSA-N- 분자식
- C13H8O3
- 평균 분자량
- 212.2 g/mol
- 단동위원소 질량
- 212.04734412
이름 및 식별자
- 우선 이름
- 2,7-Dihydroxyfluoren-9-one
- IUPAC
- 2,7-dihydroxyfluoren-9-one
- 현지명
- 2,7-디하이드록시-9-플루오레논
- 영어명
- 2,7-Dihydroxy-9-fluorenone
- 분자식
- C13H8O3
- 분자량
- 212.2
이름 및 동의어
42523-29-52,7-dihydroxyfluoren-9-oneRefChem:445972610-035-92,7-Dihydroxy-9-fluorenone2,7-dihydroxy-9H-fluoren-9-one2,7-DihydroxyfluorenoneMFCD000371412,7-dihydroxy-fluoren-9-oneChemDivAM_000848Oprea1_047542Compound 0356-0002
이름 더 보기
2,7-디하이드록시-9-플루오레논2,7-Dihydroxy-9H-fluoren-9-on2,7-Dihydroxy-9-fluo7-Dihydroxy-9-fluorenone2,7-Dihydroxy-9-Fluorene2,7-Dihydroxyl-9-Fluorenone2,7- Dihydroxy florene-9-one
AKOS003625057AS-14445Z14643580232,7-fluorenonediolChemDiv1_019145SCHEMBL539276CHEMBL491290SCHEMBL29486239
데이터베이스 식별자
- CAS
42523-29-5- PubChem CID
- 4354181
- DTXSID
DTXSID60402283- ChEMBL
CHEMBL491290- EC Number
- 610-035-9
- Nikkaji
- J89.472I
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 57.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 274
물리화학적 성질
- 녹는점
- 338 °C · 338 °C
- 끓는 점
- 444.5 · 444.5±20.0 °C(Predicted)
- 밀도
- 1.497 · 1.497±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 8.87 · 8.87±0.20(Predicted)
- 색상
- 밝은 노란색에서 갈색까지
- InChI
- InChI=1S/C13H8O3/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6,14-15H
- InChIKey
- CWHPQXRTQSNTRR-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=CC(O)=C2)C2=C1C=C(O)C=C2
화학적 성질
Dark red crystal or powder
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.
Danger
H301 (11.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 03-07-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22383
Hazard Classes and CategoriesAcute Tox. 4 (22.2%)
안전 데이터
- HS 번호
- 2914.50.3000
화학 및 산업
응용 분야
용도2,7-dihydroxy-9-fluorenone is used as organic intermediates.
상·하류 제품 정보
상류 원료
하류 제품
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