Basic information
- CAS
765276-45-7- Standard SMILES
O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1- InChIKey
ARKNCTFISDDOIG-VULFUBBASA-N- Molecular formula
- C23H20FN3O3
- Average molar mass
- 405.4 g/mol
- Monoisotopic mass
- 405.14886967
Names & identifiers
- Preferred name
- N-(2-(2-(4-(Benzyloxy)benzylidene)hydrazino)-2-oxoethyl)-4-fluorobenzamide
- IUPAC
- 4-fluoro-N-[2-oxo-2-[(2E)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
- English name
- SALOR-INT L454451-1EA
- Molecular formula
- C23H20FN3O3
- Molecular weight
- 405.42
Names & synonyms
N-(2-(2-(4-(BENZYLOXY)BENZYLIDENE)HYDRAZINO)-2-OXOETHYL)-4-FLUOROBENZAMIDERefChem:824551765276-45-7656-423-1AKOS024416800SALOR-INT L454451-1EA
Database identifiers
- CAS
765276-45-7- PubChem CID
- 9638326
- EC Number
- 656-423-1
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 564
Physicochemical properties
- Density
- 1.21 · 1.210±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.07 · 12.070±0.46(predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…