Benzaldehyde, 3-fluoro-, [(3-fluorophenyl)methylene]hydrazone
Basic information
- CAS
15332-10-2- Standard SMILES
Fc1cccc(C=NN=Cc2cccc(F)c2)c1- InChIKey
YYMCVDNIIFNDJK-UHFFFAOYSA-N- Molecular formula
- C14H10F2N2
- Average molar mass
- 244.24 g/mol
- Monoisotopic mass
- 244.08120465
Names & identifiers
- Preferred name
- Benzaldehyde, 3-fluoro-, [(3-fluorophenyl)methylene]hydrazone
- IUPAC
- 1-(3-fluorophenyl)-N-[(3-fluorophenyl)methylideneamino]methanimine
- English name
- DFB
- Molecular formula
- C14H10F2N2
- Molecular weight
- 244.24
Names & synonyms
orb1704577SCHEMBL12497017Benzaldehyde, 3-fluoro-, [(3-fluorophenyl)methylene]hydrazoneHMS3268I15AKOS028111628DB-043187Q27164153[(3-FLUOROPHENYL)METHYLENE]HYDRAZONE-3-FLUOROBENZALDEHYDEDFB3,3'-Difluorobenzaldazine1,2-Bis(3-fluorobenzylidene)hydrazine3,3' Difluorobenzaldazine,3,3'Difluorobenzaldazine
Show more names
Benzaldehyde, 3-fluoro-, 2-[(3-fluorophenyl)methylene]hydrazone1-(3-fluorophenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]methanimine
Database identifiers
- CAS
15332-10-2- PubChem CID
- 2378095
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 326.6 · 326.6±42.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 12 mg/mL · DMSO: ~12 mg/mL
- form
- solid
- pka
- 5.78 · 5.78±0.50(Predicted)
- color
- yellow
- InChI
- 1S/C14H10F2N2/c15-13-5-1-3-11(7-13)9-17-18-10-12-4-2-6-14(16)8-12/h1-10H/b17-9-,18-10-
- InChIKey
- YYMCVDNIIFNDJK-XFQWXJFMSA-N
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H400
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P273-P391-P501
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-50/53
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- ridadr
- UN 3077 9/PG 3
- risk_code
- 22-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 60-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H400
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P273-P391-P501
Chemistry & industry
Applications
UsesDFB is an allosteric potentiator of mGluR-5.
Additional notes
DefinitionChEBI: Bis(3-fluorobenzylidene)hydrazine is an azine and a member of monofluorobenzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…