Basic information
- CAS
70627-52-0- Standard SMILES
Fc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1- InChIKey
IWNBEFDVKWCBFY-UHFFFAOYSA-N- Molecular formula
- C20H16FNO
- Average molar mass
- 305.3 g/mol
Names & identifiers
- Preferred name
- 4-Fluoro-N-((4-(phenylmethoxy)phenyl)methylene)benzenamine
- IUPAC
- N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimine
- English name
- N-(4-(Benzyloxy)benzylidene)-4-fluoroaniline
- Molecular formula
- C20H16FNO
- Molecular weight
- 305.35
Names & synonyms
70627-52-04-FLUORO-N-((4-(PHENYLMETHOXY)PHENYL)METHYLENE)BENZENAMINE4-Fluoro-N-[[4-(phenylmethoxy)phenyl]methylene]benzenamineRefChem:198676N-(4-(BENZYLOXY)BENZYLIDENE)-4-FLUOROANILINE4'-(Benzyloxy)benzylidene-4-fluoroanilineMFCD000179511206694-75-8N-(4-fluorophenyl)-1-(4-phenylmethoxyphenyl)methanimineBenzenamine, 4-fluoro-N-[[4-(phenylmethoxy)phenyl]methylene]-C20H16FNO(Z)-1-(4-(Benzyloxy)phenyl)-N-(4-fluorophenyl)methanimine
Show more names
ETMB-02Ezetimibe Impurity 80Propanoylchloride,5-ethoxy-4-Benzyloxybenzylidene-(4-f...1H-Indene-1,3(2H)-dione,5,11-dichloro-4-(4-Benzyloxybenzylidene)Fluoroaniline4-BENZYLOXYBENZYLIDENE-(4-FLUORO)ANILINE4, 4-Benzyloxybenzylidene P- Fluoroaniline
starbld0004881219653-96-0(E)-N-(4-(benzyloxy)benzylidene)-4-fluoroanilineSCHEMBL5253028T6S6LX5B3SCHEMBL122750304-BENZYLOXYBENZYLIDENE 4-FLUOROANILINEN-[4-(benzyloxy)benzylidene]-4-fluoroaniline
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Melting point
- 136 · 136-138 ºC
- Boiling point
- 455.2 · 455.2±35.0 °C(Predicted)
- Density
- 1.07 · 1.07
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Acetonitrile (Slightly), Chlorofrom (Slightly), Methanol (Slightly, Sonicated)
- form
- Solid
- pka
- 3.71 · 3.71±0.50(Predicted)
- color
- Very Dark Orange
- InChI
- InChI=1S/C20H16FNO/c21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-14H,15H2
- InChIKey
- IWNBEFDVKWCBFY-UHFFFAOYSA-N
- SMILES
- C1(N=CC2=CC=C(OCC3=CC=CC=C3)C=C2)=CC=C(F)C=C1
- CAS DataBase Reference
- 70627 · 70627-52-0
- FDA UNII
- 8 T6S6LX5B3 · 8T6S6LX5B3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
GHS classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- hs_code
- 2925.29.9000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
Uses4-Benzyloxybenzylidene 4-Fluoroaniline is an intermediate in the synthesis of Linezolid (L466500).
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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