Basic information
- CAS
765910-90-5- Standard SMILES
CCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)cc2)cc1- InChIKey
QKJUMFZHOSDPNJ-CVKSISIWSA-N- Molecular formula
- C24H21BrN2O5
- Average molar mass
- 497.3 g/mol
- Monoisotopic mass
- 496.06338
Names & identifiers
- Preferred name
- 4-Bromo-2-(2-(4-ethoxybenzoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate
- IUPAC
- [4-bromo-2-[(E)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
- English name
- SALOR-INT L391565-1EA
- Molecular formula
- C24H21BrN2O5
- Molecular weight
- 497.34
Names & synonyms
4-BROMO-2-(2-(4-ETHOXYBENZOYL)CARBOHYDRAZONOYL)PHENYL 4-METHOXYBENZOATERefChem:519426765910-90-5649-853-6AKOS024415174SALOR-INT L391565-1EA
Database identifiers
- CAS
765910-90-5- PubChem CID
- 9639596
- EC Number
- 649-853-6
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 630
Physicochemical properties
- Density
- 1.354 · 1.354±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.024 · 12.024±0.46(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H410
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-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
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
- H317-H410
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-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
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