2'-Fluoro-4'-methoxyacetophenone

HCID 592821

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 74457-86-6
표준 SMILES: COc1ccc(C(C)=O)c(F)c1
InChIKey: PIRRWUMTIBFCCW-UHFFFAOYSA-N
분자식: C9H9FO2
평균 분자량: 168.16 g/mol
단동위원소 질량: 168.05865775

이름 및 식별자

우선 이름: 2'-Fluoro-4'-methoxyacetophenone
IUPAC: 1-(2-fluoro-4-methoxyphenyl)ethanone
영어명: 2-Fluoro-4-methoxyacetophenone
분자식: C9H9FO2
분자량: 168.17

이름 및 동의어

2'-Fluoro-4'-methoxyacetophenone74457-86-62-Fluoro-4-methoxyacetophenoneDTXSID30343871RefChem:80334DTXCID60294948627-765-9PIRRWUMTIBFCCW-UHFFFAOYSA-N1-(2-Fluoro-4-methoxyphenyl)ethanone1-(2-fluoro-4-methoxyphenyl)ethan-1-oneMFCD000422901-acetyl-2-fluoro-4-methoxybenzene

이름 더 보기

4-ACETYL-3-FLUOROANISOLE4-Methoxyphenacyl fluoride2-fluor-4-methoxyacetophenone2'-Fluoro-4'-Methoxyacetoph...2-FLUORO-4-METHXOYACETOPHENONE2'-Fluoro-4'-methoxylacetophenone2'-Fluoro-4'-methoxyacetophenone99%

CL8642CS-W0087632'-FLUOR-4'-METHOXYACETOPHENONE1-(2-Fluoro-4-methoxy-phenyl)-ethanone1-(2-Fluoro-4-methoxyphenyl)ethanone #AB01319474-02Ethanone, 1-(2-fluoro-4-methoxyphenyl)-2-Fluoro-4-methoxy-acetophenone

데이터베이스 식별자

CAS: 74457-86-6
PubChem CID: 592821
DTXSID: DTXSID30343871
EC Number: 627-765-9
Nikkaji: J1.784.725B

물성

구조 계산 물성

XLogP: 1.9
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 · 52-54 °C(lit.)
끓는 점: 80 · 80-85 °C (0.1 mmHg)
밀도: 1.141 · 1.1410 (estimate)
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 점성 용액
색상: 무색의
수용성: 불용성
BRN: 3539992 · 3539992
InChI: 1S/C9H9FO2/c1-6(11)8-4-3-7(12-2)5-9(8)10/h3-5H,1-2H3
InChIKey: PIRRWUMTIBFCCW-UHFFFAOYSA-N
SMILES: COc1ccc(C(C)=O)c(F)c1

화학적 성질

white to light yellow crystal powder

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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
위험 등급: IRRITANT
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도2′-Fluoro-4′-methoxyacetophenone may be used in chemical synthesis.

제조 방법

Obtained by reaction of acetic anhydride with 3-fluoroanisole in the presence of aluminium chloride in carbon disulfide at r.t., then at 30–35° until no more hydrochloric acid is evolved.