3',5'-디플루오로-2'-히드록시아세토페논

1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one

HCID 2736976

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 140675-42-9
표준 SMILES: CC(=O)c1cc(F)cc(F)c1O
InChIKey: MCDJUVXLLXTCFP-UHFFFAOYSA-N
분자식: C8H6F2O2
평균 분자량: 172.13 g/mol
단동위원소 질량: 172.03358587

이름 및 식별자

우선 이름: 1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one
IUPAC: 1-(3,5-difluoro-2-hydroxyphenyl)ethanone
현지명: 3',5'-디플루오로-2'-히드록시아세토페논
영어명: 3',5'-Difluoro-2'-hydroxyacetophenone
분자식: C8H6F2O2
분자량: 172.13

이름 및 동의어

1-(3,5-difluoro-2-hydroxyphenyl)ethan-1-oneRefChem:422920642-673-9140675-42-91-(3,5-difluoro-2-hydroxyphenyl)ethanone3',5'-DIFLUORO-2'-HYDROXYACETOPHENONEMFCD00042476Ethanone, 1-(3,5-difluoro-2-hydroxyphenyl)-1-acetyl-3,5-difluoro-2-hydroxybenzeneSCHEMBL4714412-acetyl-4,6-difluorophenol;orb3031609

이름 더 보기

3',5'-디플루오로-2'-히드록시아세토페논3,5-DIFLUOROSALICYLALDEHYDE3,5-DIFLUORO-2-HYDROXYACETOPHENONE3',5'-Difluoro-2'-hydroxyacetophenone98%3',5'-Difluoro-2'-hydroxyacetophenone 98%3',5'-Difluoro-2'-hydroxyacetophenone,97%1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one, 2-Acetyl-4,6-difluorophenol

SCHEMBL6379575SCHEMBL29794231DTXSID10371738Ethanone,1-(3,5-difluoro-2-hMCDJUVXLLXTCFP-UHFFFAOYSA-NFr12154SBB064841AKOS005258094

데이터베이스 식별자

CAS: 140675-42-9
PubChem CID: 2736976
DTXSID: DTXSID10371738
EC Number: 642-673-9

물성

구조 계산 물성

XLogP: 2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 184

물리화학적 성질

녹는점: 53 · 53-55°C
끓는 점: 220.8 · 220.8±35.0 °C(Predicted)
밀도: 1.346 · 1.346±0.06 g/cm3(Predicted)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 8.93 · 8.93±0.23(Predicted)
물리적 상태: 가루
색상: Khaki/gold

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (37.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (37.5%)

안전 데이터

HS 번호: 2914500090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39
위험 참고 사항: Irritant

화학 및 산업

제조 방법 · 1건

This compound can be easily obtained by Fries rearrangement of 2,4-difluorophenyl acetate with aluminium chloride without solvent at 150°, and purified by recrystallization from ethanol (80–90%) ; the 2,4-difluorophenyl acetate is prepared by reaction of acetic anhydride on 2,4-difluorophenol.