4-((2-(4-Methoxybenzoyl)hydrazinylidene)methyl)phenyl 3-bromobenzoate
Basic information
- CAS
303083-49-0- Standard SMILES
COc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1- InChIKey
XNLQWCMCIUPSFA-UHFFFAOYSA-N- Molecular formula
- C22H17BrN2O4
- Average molar mass
- 453.3 g/mol
- Monoisotopic mass
- 452.03717
Names & identifiers
- Preferred name
- 4-((2-(4-Methoxybenzoyl)hydrazinylidene)methyl)phenyl 3-bromobenzoate
- IUPAC
- [4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Names & synonyms
303083-49-04-[[2-(4-Methoxybenzoyl)hydrazinylidene]methyl]phenyl 3-bromobenzoate4-((2-(4-Methoxybenzoyl)hydrazinylidene)methyl)phenyl 3-bromobenzoate4-{[2-(4-Methoxybenzoyl)hydrazinylidene]methyl}phenyl 3-bromobenzoateRefChem:286300DTXSID301157251
Database identifiers
- CAS
303083-49-0- PubChem CID
- 4129712
- DTXSID
DTXSID301157251- EC Number
- 659-460-1
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 569
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 38 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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