2-Acetylfluorene

HCID 69908CAS 781-73-7

기본 정보

표준 SMILES: CC(=O)c1ccc2c(c1)Cc1ccccc1-2
InChIKey: IBASEVZORZFIIH-UHFFFAOYSA-N
분자식: C15H12O
평균 분자량: 208.25 g/mol
단동위원소 질량: 208.088815

이름 및 식별자

우선 이름: 2-Acetylfluorene
IUPAC: 1-(9H-fluoren-2-yl)ethanone
영어명: 2-Acetylfluorene
분자식: C15H12O
분자량: 208.26

이름 및 동의어

2-Acetylfluorene781-73-71-(9H-Fluoren-2-yl)ethanone2-Acetofluorene2-Fluorenyl methyl ketoneFluoren-2-yl methyl ketoneKetone, fluoren-2-yl methyl2-Acetyl-9H-fluoreneEINECS 212-310-5DTXSID6049357Ethanone, 1-(9H-fluoren-2-yl)NSC 12351

이름 더 보기

2-Acetyl fluolene2-Acetylfluorene97%2-Acetylfluorene 97%2-Acetylfluorene,98%2-Acetylfluorene >2-fluorenylmethylketoneketone,fluoren-2-ylmethyl

BRN 1871711NSC-12351UNII-265603H216265603H216DTXCID30293164-07-00-01677 (Beilstein Handbook Reference)RefChem:85000IBASEVZORZFIIH-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 781-73-7
PubChem CID: 69908
DTXSID: DTXSID6049357
ChEMBL: CHEMBL3188728
UNII: 265603H216
EC Number: 212-310-5
Nikkaji: J71.222A

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 16
형식 전하: 0
복잡도: 283

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 128 · 128-129 °C (lit.)
끓는 점: 307.46 °C · 307.46°C (rough estimate)
밀도: 1.0459 · 1.0459 (rough estimate)
굴절률: 1.5361 · 1.5361 (estimate)
인화점: 217 °C · 217 °C
저장 조건: Store at room temperature
용해도: 클로로포름에 용해됨
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
수용성: 1 g/L · 1g/L(20℃)
BRN: 1871711 · 1871711
InChI: InChI=1S/C15H12O/c1-10(16)11-6-7-15-13(8-11)9-12-4-2-3-5-14(12)15/h2-8H,9H2,1H3
InChIKey: IBASEVZORZFIIH-UHFFFAOYSA-N
SMILES: C(=O)(C1C=CC2C3=C(CC=2C=1)C=CC=C3)C
NIST: 2 · 2-Acetylfluorene(781-73-7)

화학적 성질

2-Acetylfl uorene is a light yellow crystalline powder and is stable under normal temperatures and pressures. 2-Acetylfl uorene is incompatible with strong oxidizing agents. On decomposition, it releases carbon monoxide and carbon dioxide.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
rtecs: OB3800000
HS 번호: 29143990
safety_code: 24/25
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

개요2-Acetylfluorene is a crystalline powder of light yellow and is stable under normal temperatures and pressures. 2-Acetylfluorene is incompatible with strong oxidising agents. 2-Acetylfluorene on decomposition releases carbon monoxide and carbon dioxide.