Basic information
- CAS
767335-60-4- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1- InChIKey
LEEIRAYLFDDJIJ-JJNGWGCYSA-N- Molecular formula
- C32H45BrN2O3
- Average molar mass
- 585.6 g/mol
- Monoisotopic mass
- 584.26136
Names & identifiers
- Preferred name
- 4-(2-Stearoylcarbohydrazonoyl)phenyl 4-bromobenzoate
- IUPAC
- [4-[(E)-(octadecanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
- English name
- SALOR-INT L486612-1EA
- Molecular formula
- C32H45BrN2O3
- Molecular weight
- 585.62
Names & synonyms
4-(2-STEAROYLCARBOHYDRAZONOYL)PHENYL 4-BROMOBENZOATERefChem:512770767335-60-4655-993-9AKOS024417964SALOR-INT L486612-1EA
Database identifiers
- CAS
767335-60-4- PubChem CID
- 45054652
- EC Number
- 655-993-9
Properties
Computed structural properties
- XLogP
- 11.7
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 21
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 641
Physicochemical properties
- Density
- 1.143 · 1.143±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.5 · 13.500±0.46(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · 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, P280, P302+P352, P321, P333+P317, P362+P364, 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.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- 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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