2-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-1-(4-nitrophenyl)ethylidene)acetohydrazide
Basic information
- CAS
477734-70-6- Standard SMILES
C=C(C)Cn1c(SCC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1- InChIKey
VMGPQCULSWEIIQ-BUVRLJJBSA-N- Molecular formula
- C22H21BrN6O3S
- Average molar mass
- 529.4 g/mol
- Monoisotopic mass
- 528.05792
Names & identifiers
- Preferred name
- 2-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-1-(4-nitrophenyl)ethylidene)acetohydrazide
- IUPAC
- 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(4-nitrophenyl)ethylideneamino]acetamide
- English name
- SALOR-INT L249084-1EA
- Molecular formula
- C22H21BrN6O3S
- Molecular weight
- 529.41
Names & synonyms
2-{[5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-1-(4-NITROPHENYL)ETHYLIDENE]ACETOHYDRAZIDE2-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-1-(4-nitrophenyl)ethylidene)acetohydrazideRefChem:449456477734-70-6650-850-7MLS003128245AKOS024319836SMR001836294ST50420708N-[(1E)-2-(4-nitrophenyl)-1-azaprop-1-enyl]-2-[5-(4-bromophenyl)-4-(2-methylpr op-2-enyl)(1,2,4-triazol-3-ylthio)]acetamideSALOR-INT L249084-1EA2-([5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N'-[(E)-1-(4-NITROPHENYL)ETHYLIDENE]ACETOHYDRAZIDE
Show more names
Acetic acid, 2-[[5-(4-bromophenyl)-4-(2-methyl-2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-, 2-[1-(4-nitrophenyl)ethylidene]hydrazide
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 732
Physicochemical properties
- Density
- 1.48 · 1.480±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.291 · 11.291±0.46(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H413
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-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, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H413
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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