1-(3-Fluoro-4-methylphenyl)ethan-1-one

HCID 2774569CAS 42444-14-4

기본 정보

표준 SMILES: CC(=O)c1ccc(C)c(F)c1
InChIKey: XAMNMGLEJNLUIH-UHFFFAOYSA-N
분자식: C9H9FO
평균 분자량: 152.16 g/mol
단동위원소 질량: 152.06374313

이름 및 식별자

우선 이름: 1-(3-Fluoro-4-methylphenyl)ethan-1-one
IUPAC: 1-(3-fluoro-4-methylphenyl)ethanone
영어명: 3'-Fluoro-4'-methylacetophenone
분자식: C9H9FO
분자량: 152.17

이름 및 동의어

1-(3-fluoro-4-methylphenyl)ethan-1-oneRefChem:423807670-266-63'-Fluoro-4'-methylacetophenone42444-14-41-(3-fluoro-4-methylphenyl)ethanoneMFCD016314113-Fluoro-4-methylacetophenoneAKOS0091576801-(3-Fluoro-4-methyl-phenyl)ethanoneSY101084CS-0093746

이름 더 보기

3'-fluoro-4'-methylbenzenethyloneEthanone, 1-(3-fluoro-4-methylphenyl)-1-(3-Fluoro-4-methylphenyl)ethanone - [F93043]3′-Fluoro-4′-methylacetophenone, CAS 42444-14-41-(3-Fluoro-4-methylphenyl)ethan-1-one, 4-Acetyl-2-fluorotoluene

Z5137354321-acetyl-3-fluoro-4-methylbenzeneFT-0647717A872885SCHEMBL1926473SCHEMBL7255048SCHEMBL30881474DTXSID40379101

데이터베이스 식별자

CAS: 42444-14-4
PubChem CID: 2774569
DTXSID: DTXSID40379101
EC Number: 670-266-6

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 156

물리화학적 성질

녹는점: 31 · 31-34°C
끓는 점: 217.5 · 217.5±20.0 °C(Predicted)
밀도: 1.075 · 1.075±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C

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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.