1-(4-Fluoro-3-methoxyphenyl)ethanone

HCID 2774532

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 64287-19-0
표준 SMILES: COc1cc(C(C)=O)ccc1F
InChIKey: PFEGFUCYOHBDJF-UHFFFAOYSA-N
분자식: C9H9FO2
평균 분자량: 168.16 g/mol
단동위원소 질량: 168.05865775

이름 및 식별자

우선 이름: 1-(4-Fluoro-3-methoxyphenyl)ethanone
IUPAC: 1-(4-fluoro-3-methoxyphenyl)ethanone
영어명: 4-Fluoro-3-methoxyacetophenone
분자식: C9H9FO2
분자량: 168.16

이름 및 동의어

64287-19-01-(4-fluoro-3-methoxyphenyl)ethanone1-(4-Fluoro-3-methoxyphenyl)ethan-1-oneDTXSID40379080RefChem:425461DTXCID90330106613-561-74'-Fluoro-3'-methoxyacetophenone4-Fluoro-3-MethoxyacetophenoneMFCD00272135ethanone, 1-(4-fluoro-3-methoxyphenyl)-3-METHOXY-4-FLUOROACETOPHENONE

이름 더 보기

4'-Fluoro-3'-methoxyacetophenone 98%4'-Fluoro-3'-methoxyacetophenone 99+%1-(4-Fluoro-3-methoxyphenyl)ethanone - [F93351]1-(4-Fluoro-3-methoxyphenyl)ethan-1-one, 5-Acetyl-2-fluoroanisole

SCHEMBL6609291-acetyl-4-fluoro-3-methoxybenzene1-(4-fluoro-3-methoxy-phenyl)ethanoneSCHEMBL29599043PFEGFUCYOHBDJF-UHFFFAOYSA-NCK2585SBB064944AKOS005063602

데이터베이스 식별자

CAS: 64287-19-0
PubChem CID: 2774532
DTXSID: DTXSID40379080
EC Number: 613-561-7

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 170

물리화학적 성질

녹는점: 52 °C · 52 °C
끓는 점: 246 · 246.0±20.0 °C(Predicted)
밀도: 1.127 · 1.127±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
BRN: 4381319 · 4381319

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (12.5%): 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)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.