디플로르아세트페논(3',4'-)

1-(3,4-Difluorophenyl)ethan-1-one

HCID 123052CAS 369-33-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(=O)c1ccc(F)c(F)c1
InChIKey: VWJSSJFLXRMYNV-UHFFFAOYSA-N
분자식: C8H6F2O
평균 분자량: 156.13 g/mol
단동위원소 질량: 156.03867125

개요

1-(3,4-Difluorophenyl)ethan-1-one is an aromatic ketone.

이름 및 식별자

우선 이름: 1-(3,4-Difluorophenyl)ethan-1-one
IUPAC: 1-(3,4-difluorophenyl)ethanone
현지명: 디플로르아세트페논(3',4'-)
영어명: 3',4'-Difluoroacetophenone
분자식: C8H6F2O
분자량: 156.13

이름 및 동의어

369-33-51-(3,4-difluorophenyl)ethanone1-(3,4-Difluorophenyl)ethan-1-oneEINECS 206-717-7VWJSSJFLXRMYNV-UHFFFAOYSA-DTXSID40190378RefChem:422819DTXCID50112869206-717-7InChI=1/C8H6F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H33',4'-Difluoroacetophenone3,4-Difluoroacetophenone

이름 더 보기

디플로르아세트페논(3',4'-)3',4'-다이플루오로아세토페논4´3',4'-Difluoro3',4'-DifluoroacetopOTAVA-BB BB70204100773,4-Difluoroacetophenone,98%3',4'-Difluoroacetophenone99%3',4'-Difluoroacetophenone>

Ethanone, 1-(3,4-difluorophenyl)-MFCD000098911-(3,4-Difluoro-phenyl)-ethanone3',4'-Difluoroacetophenone, 97%EN300-176063,4,-DifluoroacetophenoneFT-06142713,4-difluoro acetophenone

데이터베이스 식별자

CAS: 369-33-5
PubChem CID: 123052
DTXSID: DTXSID40190378
ChEBI: CHEBI:194753
EC Number: 206-717-7
Nikkaji: J208.438D

물성

구조 계산 물성

XLogP: 2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 158

물리화학적 성질

녹는점: 19 · 19-20 °C(lit.)
끓는 점: 94 · 94-95 °C13 mm Hg(lit.)
밀도: 1.246 g/mL · 1.246 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4916(lit.)
인화점: 167 °F · 167 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light yellow
Specific Gravity: 1.246 · 1.246
수용성: 불용성
BRN: 2206856 · 2206856
InChI: 1S/C8H6F2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-4H,1H3
InChIKey: VWJSSJFLXRMYNV-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(F)c(F)c1
NIST: 3 · 3',4'-Difluoroacetophenone(369-33-5)

화학적 성질

clear yellowish liquid after melting

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.