CAS 290835-85-7 1-(2,6-Dichloro-3-fluorophenyl)ethanone (HCID 2733982)

기본 정보

CAS: 290835-85-7
표준 SMILES: CC(=O)c1c(Cl)ccc(F)c1Cl
InChIKey: VJBFZHHRVCPAPZ-UHFFFAOYSA-N
분자식: C8H5Cl2FO
평균 분자량: 207.03 g/mol
단동위원소 질량: 205.97014836

이름 및 식별자

우선 이름: 1-(2,6-Dichloro-3-fluorophenyl)ethanone
IUPAC: 1-(2,6-dichloro-3-fluorophenyl)ethanone
현지명: 2,6-디클로로-3-플루오로아세토페논
영어명: 2,6-Dichloro-3-fluoroacetophenone
분자식: C8H5Cl2FO
분자량: 207.03

이름 및 동의어

1-(2,6-dichloro-3-fluorophenyl)ethanoneRefChem:420611290835-85-72',6'-Dichloro-3'-fluoroacetophenone1-(2,6-dichloro-3-fluorophenyl)ethan-1-oneEthanone, 1-(2,6-dichloro-3-fluorophenyl)-MFCD02093760SCHEMBL4887792',6'-dichloro-5'-fluoroacetophenone2`,6`-Dichloro-3`-fluoroacetophenonePB47336BP-10594

이름 더 보기

2,6-디클로로-3-플루오로아세토페논2-chloro-1-(2-chloro-5-fluorophenyl)ethan-1-oneCAS:290835-85-7Dichloro-3-fluoroacetophe6'-Dichloro-3'-fluro acetophenone3-Fluoro-2,6-Dichloroacetophenone2,6-dichloro-3-fluro acetophenone2,6-DICHLORO-3-FLUOROACETOPHENONE2,6-Dichloro-3-fluorobenzophenone2,6-DICHLORO-5-FLUORO ACETOPHENONE

2',6'-Dichloro-3'-fluoroacetophenone, 98%Z1045091541-acetyl-2,6-dichloro-3-fluorobenzene2',6'-Dichloro-3'-fluroacetophenone1-(2,6-dichloro-3-fluoro-phenyl)ethanoneAM20061080EC 627-895-696LBS2W3AE

데이터베이스 식별자

CAS: 290835-85-7
PubChem CID: 2733982
DTXSID: DTXSID30370066
UNII: 96LBS2W3AE
Nikkaji: J2.639.248I

물성

구조 계산 물성

XLogP: 3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 186

물리화학적 성질

끓는 점: 255 °C · 255 °C(lit.)
밀도: 1.403 g/mL · 1.403 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.529(lit.)
인화점: 255 °C · 255°C
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.403 · 1.403
색상: 무색투명~연황색
InChI: InChI=1S/C8H5Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-3H,1H3
InChIKey: VJBFZHHRVCPAPZ-UHFFFAOYSA-N
SMILES: C(=O)(C1=C(Cl)C=CC(F)=C1Cl)C

화학적 성질

clear colorless to light yellow liqui

안전 및 규제

안전 데이터

wgk: 3
ridadr: UN 2810 6.1/PG 3
HS 번호: 29143990
risk_code: 36/37/38-22-25
hazard_code: Xi,F,T
safety_code: 37/39-26-45
포장분류: III
위험 등급: IRRITANT
위험 참고 사항: Flammable
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야

용도2,6-Dichloro-3-fluoroacetophenone is a halogenated derivative of Acetophenone (A164015), a reagent used in the production of fragrances and resin polymers.

일반 설명2′,6′-Dichloro-3′-fluoroacetophenone is an aryl fluorinated building block.