2,2,2,4'-테트라플루오로아세토페논

2,2,2,4'-Tetrafluoroacetophenone

HCID 69564CAS 655-32-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(c1ccc(F)cc1)C(F)(F)F
InChIKey: LUKLMXJAEKXROG-UHFFFAOYSA-N
분자식: C8H4F4O
평균 분자량: 192.11 g/mol
단동위원소 질량: 192.01982763

이름 및 식별자

우선 이름: 2,2,2,4'-Tetrafluoroacetophenone
IUPAC: 2,2,2-trifluoro-1-(4-fluorophenyl)ethanone
현지명: 2,2,2,4'-테트라플루오로아세토페논
영어명: 2,2,2,4'-Tetrafluoroacetophenone
분자식: C8H4F4O
분자량: 192.11

이름 및 동의어

655-32-32,2,2,4'-Tetrafluoroacetophenone2,2,2-trifluoro-1-(4-fluorophenyl)ethanone2,2,2-Trifluoro-1-(4-fluorophenyl)ethan-1-onep-FluorotrifluoroacetophenoneEthanone, 2,2,2-trifluoro-1-(4-fluorophenyl)-Acetophenone, 2,2,2,4'-tetrafluoro-1-(4-fluorophenyl)-2,2,2-trifluoroethanoneY27QD2KWG8p,alpha,alpha,alpha-TetrafluoroacetophenoneEINECS 211-509-4NSC 158171

이름 더 보기

2,2,2,4'-테트라플루오로아세토페논uoro-1-(4-fL4-Fluoro-,,-trifluoroEthanone, 2,2,2-trifLα,α,α,4-tetrafluoroacetophenone4-Fluoro-,,-trifluoroacetophenone(4-Fluorobenzoyl)trifluoromethane2,2,2,4'-Tetrafluoroacetophenone99%

NSC-158171DTXSID30609581-(4-Fluorophenyl)-2,2,2-trifluoroethan-1-oneRefChem:440377DTXCID4044618211-509-4MFCD00042393NSC158171

데이터베이스 식별자

CAS: 655-32-3
PubChem CID: 69564
DTXSID: DTXSID3060958
UNII: Y27QD2KWG8
EC Number: 211-509-4
Nikkaji: J205.947I

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 191

실험 및 물리화학적 성질

SpringerMaterials PropertiesChemical shift

물리화학적 성질

녹는점: 24 · 24-27 °C(lit.)
끓는 점: 66 · 66-67 °C34 mm Hg(lit.)
밀도: 1.37 g/mL · 1.37 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.448(lit.)
인화점: 90 °F · 90 °F
저장 조건: 2 · Sealed in dry,2-8°C
물리적 상태: powder to lump to clear liquid
색상: White or Colorless to Light yellow
Specific Gravity: 1.37 · 1.370
BRN: 1872824 · 1872824
InChI: 1S/C8H4F4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
InChIKey: LUKLMXJAEKXROG-UHFFFAOYSA-N
SMILES: Fc1ccc(cc1)C(=O)C(F)(F)F
EPA: 2 · Ethanone, 2,2,2-trifluoro-1-(4-fluorophenyl)- (655-32-3)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (100%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Sol. 1 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 1325 4.1/PG 2
HS 번호: 29147000
risk_code: 11-36/37/38
hazard_code: F,Xi
safety_code: 16-26-36
포장분류: III
위험 등급: 3.2
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing InformationEthanone, 2,2,2-trifluoro-1-(4-fluorophenyl)-: INACTIVE

응용 분야

용도2,2,2,4''-Tetrafluoroacetophenone is used in the stereoselective synthesis of trifluoromethyl-substituted 2H-furan-amines.

일반 설명2,2,2,4′-Tetrafluoroacetophenone (α,α,α,4-Tetrafluoroacetophenone, 2,2,2-trifluoro-1-(4-fluorophenyl)ethanone) is a fluorinated building block. Its enthalpy of vaporization at boiling point has been reported.