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9-히드록시플루오렌

Fluoren-9-ol

HCID 74318
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
1689-64-1
표준 SMILES
OC1c2ccccc2-c2ccccc21
InChIKey
AFMVESZOYKHDBJ-UHFFFAOYSA-N
분자식
C13H10O
평균 분자량
182.22 g/mol
단동위원소 질량
182.07316494

개요

Fluoren-9-ol is a member of the class of hydroxyfluorenes that is 9H-fluorene substituted by a hydroxy group at position 9 (the non-aromatic carbon). It has a role as an animal metabolite. It is a member of hydroxyfluorenes and a secondary alcohol.

이름 및 식별자

우선 이름
Fluoren-9-ol
IUPAC
9H-fluoren-9-ol
현지명
9-히드록시플루오렌
영어명
9-Fluorenol
분자식
C13H10O
분자량
182.22

이름 및 동의어

9H-Fluoren-9-ol9-Hydroxyfluorene1689-64-19-FluorenolFluoren-9-olFluorenolDiphenylene carbinolBV0Q72R613NSC-5320DTXSID4052683CHEBI:16904RefChem:549403
이름 더 보기
9-하이드록시플루오렌9-히드록시플루오렌9-플루오레놀hydrafiniluorenoLHydranafil1689-64- 1Hydroxyfluoren9-Fluorenol>
DTXCID8031281216-879-09-Hydroxy fluoreneMFCD00001135CHEMBL5715489-Hydroxy-9H-fluorene9-FLUORENYL ALCOHOLUNII-BV0Q72R613

데이터베이스 식별자

CAS
1689-64-1
PubChem CID
74318
DTXSID
DTXSID4052683
ChEMBL
CHEMBL571548
ChEBI
CHEBI:16904
UNII
BV0Q72R613
EC Number
216-879-0
Nikkaji
J7.758E

물성

구조 계산 물성

XLogP
2.4
극성 표면적
20.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
14
형식 전하
0
복잡도
191

실험 및 물리화학적 성질

PolymersOther Classes -> Polycyclic Aromatic Hydrocarbons
SpringerMaterials PropertiesBoiling point
Physical DescriptionWhite or cream-colored powder; [Alfa Aesar MSDS]

물리화학적 성질

녹는점
153 · 153-154 °C(lit.)
끓는 점
275.62 °C · 275.62°C (rough estimate)
밀도
1.0368 · 1.0368 (rough estimate)
굴절률
1.5994 · 1.5994 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
13.34 · 13.34±0.20(Predicted)
물리적 상태
결정성 분말
색상
크림색
수용성
물에 불용성.
BRN
1869799 · 1869799
안정성
안정적인. 타기 쉬운. 강한 산화제와 호환되지 않습니다.
InChI
1S/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS] See POLYCYCLIC AROMATIC HYDROCARBONS.
Hazard Classes and CategoriesAcute Tox. 4 (50%)

독성 정보

Toxicity Summary9-Hydroxyfluorene is a weak dopamine reuptake inhibitor. (Wikipedia)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3077 9/PG III
HS 번호
29062990
risk_code
36/37/38
hazard_code
Xi
safety_code
24/25-36/37/39-27-26
포장분류
III
위험 등급
9

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

General Manufacturing Information9H-Fluoren-9-ol: INACTIVE

응용 분야

용도9-Fluorenol is used in Organic Synthesis, Pharmaceuticals, Agrochemicals and Dyestuffs.

제조 방법 · 1건

Synthesis of 9-Fluorenol: A 5-g sample of 9-fluorenone is dissolved in 30 mL of warm ethanol in a 100-mL beaker. To this solution is added, dropwise, 10 mL of a reducing reagent, freshly prepared, which consists of 200 mg sodium methoxide,10 mL methanol, and 0.4 g sodium borohydride.This solution is allowed to stand undisturbed for 10-20 min. A color change is observed as the reaction proceeds from the yellow 9-fluorenone to the white 9-fluorenol.The product is precipitated by the addition of 50 mL of water and neutralized with 0.1 M HCl, vacuum filtered, and washed with cold water to remove any residual inorganic salt formed by the excess of the sodium borohydride reagent and hydrochloric acid.The dried crude product is sufficiently pure for characterization by melting point, infrared spectra,and NMR.The crude product melting point is 153°C, with a product yield of 95-100%.A Synthesis of 9-Fluorenol: Sodium Borohydride Reduction of 9-Fluorenone

상·하류 제품 정보

상류 원료

Triphenylgermane트리페닐게르마늄 클로라이드Hexaphenyldigermane9-플루오레논

관련 반응

12건
반응 기록 만들기
HRID 36614 반응식
HRID 36614반응물로uspto-grants-1995_05
HRID 183458 반응식
HRID 183458반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 565672 반응식
HRID 565672반응물로uspto-grants-2001_01
HRID 1013621 반응식
HRID 1013621반응물로uspto-grants-2011_07
HRID 1147031 반응식
HRID 1147031반응물로Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1234546 반응식
HRID 1234546반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1494857 반응식
HRID 1494857반응물로uspto-grants-1991_06
HRID 1729245 반응식
HRID 1729245반응물로uspto-grants-1994_07
1 / 2 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
InChIKey
AFMVESZOYKHDBJ-UHFFFAOYSA-N
SMILES
OC1c2ccccc2-c3ccccc13
NIST
9 H-fluoren-9-ol · 9H-fluoren-9-ol(1689-64-1)
EPA
9 · 9-Hydroxyfluorene (1689-64-1)

화학적 성질

white powder

위험 참고 사항
Irritant
Hazard Classifications
Aquatic Acute 1Aquatic Chronic 1
스토리지 클래스
11 - Combustible Solids

하류 제품

9-히드록시-9-플루오렌카르복실산

공급사100 곳

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추가 설명 · 1건

정의ChEBI: 9-Fluorenol is a member of the class of hydroxyfluorenes that is 9H-fluorene substituted by a hydroxy group at position 9 (the non-aromatic carbon). It has a role as an animal metabolite. It is a member of hydroxyfluorenes and a secondary alcohol.