4-(2-(2,4-Dihydroxybenzoyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate
Basic information
- CAS
769153-20-0- Standard SMILES
COc1cc(/C=N/NC(=O)c2ccc(O)cc2O)ccc1OC(=O)c1cccc(Br)c1- InChIKey
DMUUXIXPRKFCAJ-WYMPLXKRSA-N- Molecular formula
- C22H17BrN2O6
- Average molar mass
- 485.3 g/mol
- Monoisotopic mass
- 484.027
Names & identifiers
- Preferred name
- 4-(2-(2,4-Dihydroxybenzoyl)carbohydrazonoyl)-2-methoxyphenyl 3-bromobenzoate
- IUPAC
- [4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
- English name
- SALOR-INT L387908-1EA
- Molecular formula
- C22H17BrN2O6
- Molecular weight
- 485.28
Names & synonyms
769153-20-04-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-BROMOBENZOATERefChem:511423650-220-1AKOS024414852SALOR-INT L387908-1EA
Database identifiers
- CAS
769153-20-0- PubChem CID
- 9688632
- EC Number
- 650-220-1
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 647
Physicochemical properties
- Density
- 1.497 · 1.497±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 8.054 · 8.054±0.35(predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H317-H410-H335-H319
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H315-H317-H410-H335-H319
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…