Basic information
- CAS
66742-57-2- Standard SMILES
O=Cc1ccc(OCc2cccc(F)c2)cc1- InChIKey
DNKSIIHRKWTIRH-UHFFFAOYSA-N- Molecular formula
- C14H11FO2
- Average molar mass
- 230.23 g/mol
- Monoisotopic mass
- 230.07430781
Overview
See also: 4-(3-Fluorbenzyloxy)benzaldehyde (annotation moved to).
Names & identifiers
- Preferred name
- 4-[(3-Fluorophenyl)methoxy]benzaldehyde
- IUPAC
- 4-[(3-fluorophenyl)methoxy]benzaldehyde
- English name
- 4-(3-fluoro-benzyloxy)-benzaldehyde
- Molecular formula
- C14H11FO2
- Molecular weight
- 230.23
Names & synonyms
4-[(3-fluorophenyl)methoxy]benzaldehyde4-((3-Fluorophenyl)methoxy)benzaldehydeRefChem:50920866742-57-24-((3-Fluorobenzyl)oxy)benzaldehyde4-(3-Fluoro-benzyloxy)-benzaldehyde4-(3-fluorobenzyloxy)benzaldehyde4-[(3-fluorobenzyl)oxy]benzaldehydeMFCD02605317Safinamide Impurity L4-(3-Fluorbenzyloxy)benzaldehydF835Z6XML4
Show more names
Safinamide Intermediate 1Safinamide mesylate IntermediateSafinamide mesylate Intermediate 14-(3-Fluorobenzyloxy)benzaldehyde >4-[(3-fluorophenyl)methoxy]-Benzaldehyde4-((3-fluorobenzyl)oxy)benzaldehyde (SM-01)Benzaldehyde, 4-[(3 -fluorophenyl)Methoxy]-4-(3-FLUORO-BENZYLOXY)-BENZALDEHYDE Intermediate 14-(3-FLUORO-BENZYLOXY)-BENZALDEHYDE ISO 9001：2015 REACH
EC 613-982-6Benzaldehyde, 4-[(3-fluorophenyl)methoxy]-F09434-(3-Fluoro-benzyloxy)benzaldehydeZ26335448BENZALDEHYDE, 4-((3-FLUOROPHENYL)METHOXY)-AMY4078A8983
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 236
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 46 to · 46.0 to 50.0 °C
- Boiling point
- 265 °C/3mmHg · 265°C/3mmHg(lit.)
- Density
- 1.211 · 1.211±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Methanol
- form
- Solid:crystalline
- color
- White to Almost white
- InChI
- InChI=1S/C14H11FO2/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-9H,10H2
- InChIKey
- DNKSIIHRKWTIRH-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=C(OCC2=CC=CC(F)=C2)C=C1
- CAS DataBase Reference
- 66742 · 66742-57-2
- FDA UNII
- 835 Z6XML4 · F835Z6XML4
Safety & regulation
Safety data
- hs_code
- 2913.00.4000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-(3-Fluorobenzyloxy)benzaldehyde is useful for organic reactions and synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京译源生物科技有限公司18915107665 18061915908 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Shanghai Yingrui Biopharma Co.,Ltd
Related reactions
23 records
Compound notes
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