4-(2-Isonicotinoylcarbohydrazonoyl)phenyl 2-bromobenzoate
Basic information
- CAS
382596-79-4- Standard SMILES
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccncc1- InChIKey
CGUWEZUWCAINIQ-YDZHTSKRSA-N- Molecular formula
- C20H14BrN3O3
- Average molar mass
- 424.2 g/mol
- Monoisotopic mass
- 423.02185
Names & identifiers
- Preferred name
- 4-(2-Isonicotinoylcarbohydrazonoyl)phenyl 2-bromobenzoate
- IUPAC
- [4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
- English name
- SALOR-INT L453552-1EA
- Molecular formula
- C20H14BrN3O3
- Molecular weight
- 424.25
Names & synonyms
4-(2-ISONICOTINOYLCARBOHYDRAZONOYL)PHENYL 2-BROMOBENZOATE382596-79-4RefChem:512552656-481-8AKOS024416731AG-205/12760144SALOR-INT L453552-1EA
Database identifiers
- CAS
382596-79-4- PubChem CID
- 9623943
- EC Number
- 656-481-8
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317-H335-H319-H315
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, 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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317-H335-H319-H315
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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