Basic information
- CAS
765281-85-4- Standard SMILES
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)cc2)cc1- InChIKey
ZLKJKLYQRSBPLN-OGLMXYFKSA-N- Molecular formula
- C27H21N3O5
- Average molar mass
- 467.5 g/mol
- Monoisotopic mass
- 467.14812078
Names & identifiers
- Preferred name
- 4-(2-((1-Naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-methoxybenzoate
- IUPAC
- [4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
- English name
- SALOR-INT L453110-1EA
- Molecular formula
- C27H21N3O5
- Molecular weight
- 467.47
Names & synonyms
4-(2-((1-NAPHTHYLAMINO)(OXO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATERefChem:510980765281-85-4656-711-7AKOS024416698SALOR-INT L453110-1EA
Database identifiers
- CAS
765281-85-4- PubChem CID
- 9687655
- EC Number
- 656-711-7
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 756
Physicochemical properties
- Density
- 1.261 · 1.261±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.852 · 9.852±0.46(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410-H317
- Precautionary statements
- 273 · P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, 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 CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H410-H317
- Precautionary statements
- P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-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
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