9H-플루오렌-9,9-다이메탄올

9H-Fluorene-9,9-dimethanol

HCID 345022

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4425-93-8
표준 SMILES: OCC1(CO)c2ccccc2-c2ccccc21
InChIKey: RHBLISBUFROBBC-UHFFFAOYSA-N
분자식: C15H14O2
평균 분자량: 226.27 g/mol
단동위원소 질량: 226.09937969

이름 및 식별자

우선 이름: 9H-Fluorene-9,9-dimethanol
IUPAC: [9-(hydroxymethyl)fluoren-9-yl]methanol
현지명: 9H-플루오렌-9,9-다이메탄올
영어명: 9H-FLUORENE-9,9-DIMETHANOL
분자식: C15H14O2
분자량: 226.27

이름 및 동의어

9H-Fluorene-9,9-dimethanol4425-93-8DTXSID50322885RefChem:108251DTXCID20274004610-170-3[9-(hydroxymethyl)fluoren-9-yl]methanolMFCD01321348(9H-fluorene-9,9-diyl)dimethanol(9-Hydroxymethyl-9H-fluoren-9-yl)-methanolNSC 4022309,9-di(hydroxymethyl)fluorene

이름 더 보기

9H-플루오렌-9,9-다이메탄올9H-플루오렌-9,9-디메타놀9HH-Fluorene-9,9-dimethanol

9,9-bis(hydroxymethyl)fluorene9,9-bis(hydroxymethyl)-fluoreneSB37204DS-15155C75196Fluorene-9,9-dimethanolAMY18620Fluorene-9,9-di

데이터베이스 식별자

CAS: 4425-93-8
PubChem CID: 345022
DTXSID: DTXSID50322885
EC Number: 610-170-3
Nikkaji: J2.027.573A

물성

구조 계산 물성

XLogP: 2
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 17
형식 전하: 0
복잡도: 248

물리화학적 성질

녹는점: 142 · 142-145 °C(lit.)
끓는 점: 422.8 · 422.8±18.0 °C(Predicted)
밀도: 1.23 · 1.230±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 14.17 · 14.17±0.10(Predicted)
InChI: InChI=1S/C15H14O2/c16-9-15(10-17)13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,16-17H,9-10H2
InChIKey: RHBLISBUFROBBC-UHFFFAOYSA-N
SMILES: C1(CO)(CO)C2=C(C=CC=C2)C2=C1C=CC=C2
LogP: 7 · 7

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 4.9% (2 of 41) of reports.

Warning

H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 41 reports by companies.；There is 1 notification provided by 39 of 41 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationStatus: Active Update: 11-11-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18290

Hazard Classes and CategoriesAcute Tox. 4 (95.1%)

규제 정보

Regulatory InformationStatus: Active Update: 11-11-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18290

안전 데이터

wgk: 3
risk_code: 22
hazard_code: Xn
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도9H-Fluorene-9,9-dimethanol may be used in the synthesis of:4,4′-(9H-fluorene-9-yl-dimethoxy)diphthalonitrile]poly- [oxy(9H-fluoren-9,9-dimethylene)oxy(tetramethyldisilylene)]9,9-(Ph2POCH2)2-fluorene, a diphosphinite ligand

일반 설명9H-Fluorene-9,9-dimethanol is an aryldiol.