기본 정보
- CAS
1608-51-1- 표준 SMILES
O=C(/C=C/c1ccc(F)cc1)c1ccccc1- InChIKey
NYSCQZARWVHQBE-DHZHZOJOSA-N- 분자식
- C15H11FO
- 평균 분자량
- 226.24 g/mol
- 단동위원소 질량
- 226.07939313
이름 및 식별자
- 우선 이름
- 4-Fluorochalcone
- IUPAC
- (E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one
- 현지명
- 4-플루오로칼콘
- 영어명
- 4-Fluorochalcone
- 분자식
- C15H11FO
- 분자량
- 226.25
이름 및 동의어
4-Fluorochalcone1608-51-1CCRIS 2224NSC 88515DTXSID901030857RefChem:523420DTXCID801515933672-676-0(E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one22966-07-02-Propen-1-one, 3-(4-fluorophenyl)-1-phenyl-3-(4-fluorophenyl)-1-phenyl-2-propen-1-one
이름 더 보기
4-플루오로칼콘4-Fluorochalcone>4-Fluorochalcone,98%4-FLUOROCHALCONE 98%2-(4-FLUOROBENZAL)ACETOPHENONE4-FLUOROBENZYLIDENEACETOPHENONE2-(4-FLUOROBENZYLIDENE)ACETOPHENONE1-Phenyl-3-(4-fluorophenyl)-2-propen-1-one3-(4-Fluorophenyl)-1-phenylprop-2-en-1-one
(2E)-3-(4-fluorophenyl)-1-phenylprop-2-en-1-one4-FLUORO CHALCONESCHEMBL657887AKOS0013347242-Propen-1-one, 3-(4-fluorophenyl)-1-phenyl-, (2E)-MFCD00443467(E)-3-(4-fluorophenyl)-1-phenyl-2-propen-1-one(E)-3-(4-fluorophenyl)-1-phenyl-prop-2-en-1-one
데이터베이스 식별자
- CAS
1608-51-1、22966-07-0- PubChem CID
- 5366988
- DTXSID
DTXSID901030857- ChEMBL
CHEMBL2234233- EC Number
- 672-676-0
- Nikkaji
- J402.925I、J947.028J
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 271
실험 및 물리화학적 성질
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
물리화학적 성질
- 녹는점
- 84 · 84-88 °C
- 끓는 점
- 345.9 · 345.9±34.0 °C(Predicted)
- 밀도
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- powder to crystal
- 색상
- Light orange to Yellow to Green
화학적 성질
yellow crystalline powder
안전 및 규제
GHS 분류
GHS Classification
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 2 reports by companies from 2 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
- HS 번호
- 2914390090
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 37/39-26
- 위험 참고 사항
- Irritant
화학 및 산업
공급사53 곳
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