Completing data — refresh the page later to see the latest
Basic information
- CAS
1429520-29-5- Standard SMILES
Oc1ccc(C=Nc2ccc(F)cc2)cc1- InChIKey
VNNJGDYPPLXJFF-UHFFFAOYSA-N- Molecular formula
- C13H10FNO
- Average molar mass
- 215.22 g/mol
- Monoisotopic mass
- 215.07464211
Names & identifiers
- Preferred name
- 4-[[(4-Fluorophenyl)imino]methyl]phenol
- IUPAC
- 4-[(4-fluorophenyl)iminomethyl]phenol
- English name
- 4-[[(4-Fluorophenyl)imino]methyl]-phenol
- Molecular formula
- C13H10FNO
- Molecular weight
- 215.22
Names & synonyms
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
Show more names
ZTM]-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]-
Database identifiers
- CAS
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Melting point
- 179 to · 179.0 to 183.0 °C
- Boiling point
- 370.9 · 370.9±27.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 8.56 · 8.56±0.15(Predicted)
- color
- Off-White to Dark Yellow
- 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
- CAS DataBase Reference
- 3382 · 3382-63-6(CAS DataBase Reference)
- FDA UNII
- 6 WES4VEX · LR6WES4VEX
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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
Regulatory information
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
Safety data
- hs_code
- 2925.29.9000
Chemistry & industry
Applications
Uses4-{[(p-Fluorophenyl)imino]methyl}phenol is used in the preparation of benzylacetones which promote anti-fungal activity.
Upstream & downstream products
Downstream products
Suppliers11 total
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
武汉赢元贝商贸有限公司
Related reactions
5 records
Compound notes
Loading…