Basic information
- CAS
765276-49-1- Standard SMILES
Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)c1- InChIKey
RAUHWVJNBQDSJB-MZJWZYIUSA-N- Molecular formula
- C24H20BrN3O4
- Average molar mass
- 494.3 g/mol
- Monoisotopic mass
- 493.06372
Names & identifiers
- Preferred name
- 4-(2-(((3-Methylbenzoyl)amino)acetyl)carbohydrazonoyl)phenyl 2-bromobenzoate
- IUPAC
- [4-[(E)-[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
- English name
- SALOR-INT L454419-1EA
- Molecular formula
- C24H20BrN3O4
- Molecular weight
- 494.34
Names & synonyms
4-(2-(((3-METHYLBENZOYL)AMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATERefChem:510896765276-49-1656-418-4AKOS024416796SALOR-INT L454419-1EA
Database identifiers
- CAS
765276-49-1- PubChem CID
- 9636062
- EC Number
- 656-418-4
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 678
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · 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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, 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 CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- 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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