기본 정보
- CAS
1429520-29-5- 표준 SMILES
Oc1ccc(C=Nc2ccc(F)cc2)cc1- InChIKey
VNNJGDYPPLXJFF-UHFFFAOYSA-N- 분자식
- C13H10FNO
- 평균 분자량
- 215.22 g/mol
- 단동위원소 질량
- 215.07464211
이름 및 식별자
- 우선 이름
- 4-[[(4-Fluorophenyl)imino]methyl]phenol
- IUPAC
- 4-[(4-fluorophenyl)iminomethyl]phenol
- 현지명
- 4-[[(4-플루오로페닐)이미노]메틸]-페놀
- 영어명
- 4-[[(4-Fluorophenyl)imino]methyl]-phenol
- 분자식
- C13H10FNO
- 분자량
- 215.22
이름 및 동의어
4-(((4-Fluorophenyl)imino)methyl)phenol4-[[(4-fluorophenyl)imino]methyl]phenol4-{[(4-Fluorophenyl)imino]methyl}phenol4-[(4-fluorophenylimino)methyl]phenol4-((4-fluorophenylimino)methyl)phenolRefChem:508618438-950-73382-63-64-[[(4-Fluorophenyl)imino]methyl]-phenol(E)-4-(((4-fluorophenyl)imino)methyl)phenol942485-62-3MFCD00029739
이름 더 보기
4-[[(4-플루오로페닐)이미노]메틸]-페놀ZTM]-phenoLEzetimibe-002)imino]methyLEzetimibe INT BEzetimibe Impurity 47Ezetimibe Impuriry 42Ezetimibe Impurity 42Etimibe intermediate 1
4-[(4-FLUOROPHENYL)IMINOMETHYL]PHENOL4-{[(4-fluorophenyl)imino]methyl}benzenol4-[(4-fluoroanilino)methylidene]cyclohexa-2,5-dien-1-one(E)-4-((4-Fluorophenylimino)methyl)phenol4-{[(p-Fluorophenyl)imino]methyl}phenol(E)-4-[[(4-Fluorophenyl)imino]methyl]phenol4-{(E)-[(4-fluorophenyl)imino]methyl}phenolPhenol, 4-[(E)-((4-fluorophenyl)imino)methyl]-
데이터베이스 식별자
- CAS
1429520-29-5、3382-63-6、942485-62-3- PubChem CID
- 720254
- UNII
- BA3ZMB9T4Q、EJ8EYH3XGE
- EC Number
- 438-950-7
- Nikkaji
- J1.980.425I
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 32.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 228
물리화학적 성질
- 녹는점
- 179 to · 179.0 to 183.0 °C
- 끓는 점
- 370.9 · 370.9±27.0 °C(Predicted)
- 밀도
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 8.56 · 8.56±0.15(Predicted)
- 색상
- 미색에서 진한 노란색까지
- InChI
- InChI=1S/C13H10FNO/c14-11-3-5-12(6-4-11)15-9-10-1-7-13(16)8-2-10/h1-9,16H
- InChIKey
- VNNJGDYPPLXJFF-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(C=NC2=CC=C(F)C=C2)C=C1
화학적 성질
4-[[(4-Fluorophenyl)imino]methyl]-phenol is Pale Yellow Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified；Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 2 reports by companies.；There are 0 notifications provided by 0 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8949；Status: Active Update: 25-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29588
Hazard Classes and CategoriesNot Classified
규제 정보
Regulatory InformationStatus: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/8949；Status: Active Update: 25-07-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29588
안전 데이터
- HS 번호
- 2925.29.9000
화학 및 산업
응용 분야
용도4-{[(p-Fluorophenyl)imino]methyl}phenol is used in the preparation of benzylacetones which promote anti-fungal activity.
상·하류 제품 정보
하류 제품
공급사11 곳
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